(1R)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid

C185H227Cl6N19O19 — CID 157447674

IUPAC(1R)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid
SMILESCC(=O)[C@@H](c1ccccc1Cl)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.CC(=O)[C@H](c1ccccc1Cl)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.Cc1ccc([C@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)NCCC4)C2)cc1.O=C(O)C(c1ccccc1Cl)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@@H](c1cccc(Cl)c1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccc(Cl)cc1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1cccc(Cl)c1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1
InChIInChI=1S/4C27H32ClN3O3.2C26H33ClN2O2.C25H33N3O3/c28-22-7-3-2-6-21(22)25(27(33)34)31-16-13-20(17-31)26(32)30-14-11-19(12-15-30)24-10-9-18-5-1-4-8-23(18)29-24;2*28-22-6-3-5-20(16-22)25(27(33)34)31-15-12-21(17-31)26(32)30-13-10-19(11-14-30)24-9-8-18-4-1-2-7-23(18)29-24;28-22-8-5-20(6-9-22)25(27(33)34)31-16-13-21(17-31)26(32)30-14-11-19(12-15-30)24-10-7-18-3-1-2-4-23(18)29-24;2*1-19(30)26(23-10-3-4-11-24(23)27)29-16-15-22(18-29)31-17-7-6-9-21-14-13-20-8-2-5-12-25(20)28-21;1-18-7-9-19(10-8-18)23(25(29)30)28-15-13-22(17-28)31-16-3-2-6-21-12-11-20-5-4-14-26-24(20)27-21/h2-3,6-7,9-10,19-20,25H,1,4-5,8,11-17H2,(H,33,34);2*3,5-6,8-9,16,19,21,25H,1-2,4,7,10-15,17H2,(H,33,34);5-10,19,21,25H,1-4,11-17H2,(H,33,34);2*3-4,10-11,13-14,22,26H,2,5-9,12,15-18H2,1H3;7-12,22-23H,2-6,13-17H2,1H3,(H,26,27)(H,29,30)/t20-,25?;21-,25+;21-,25-;21-,25+;22-,26+;22-,26-;22-,23-/m1111111/s1
InChIKeyBSKOGDOOLGCHLT-BJKVFWQHSA-N
MW3233.68 g/mol
LogP32.57
Rot. Bonds47

About (1R)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid

(1R)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid (PubChem CID 157447674) has the molecular formula C185H227Cl6N19O19 and a molecular weight of 3233.68 g/mol. Its IUPAC name is (1R)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name(1R)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid
PubChem CID157447674
Molecular FormulaC185H227Cl6N19O19
Molecular Weight3233.68 g/mol
Exact Mass3228.55
IUPAC Name(1R)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid
SMILESCC(=O)[C@@H](c1ccccc1Cl)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.CC(=O)[C@H](c1ccccc1Cl)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.Cc1ccc([C@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)NCCC4)C2)cc1.O=C(O)C(c1ccccc1Cl)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@@H](c1cccc(Cl)c1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccc(Cl)cc1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1cccc(Cl)c1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1
InChIInChI=1S/4C27H32ClN3O3.2C26H33ClN2O2.C25H33N3O3/c28-22-7-3-2-6-21(22)25(27(33)34)31-16-13-20(17-31)26(32)30-14-11-19(12-15-30)24-10-9-18-5-1-4-8-23(18)29-24;2*28-22-6-3-5-20(16-22)25(27(33)34)31-15-12-21(17-31)26(32)30-13-10-19(11-14-30)24-9-8-18-4-1-2-7-23(18)29-24;28-22-8-5-20(6-9-22)25(27(33)34)31-16-13-21(17-31)26(32)30-14-11-19(12-15-30)24-10-7-18-3-1-2-4-23(18)29-24;2*1-19(30)26(23-10-3-4-11-24(23)27)29-16-15-22(18-29)31-17-7-6-9-21-14-13-20-8-2-5-12-25(20)28-21;1-18-7-9-19(10-8-18)23(25(29)30)28-15-13-22(17-28)31-16-3-2-6-21-12-11-20-5-4-14-26-24(20)27-21/h2-3,6-7,9-10,19-20,25H,1,4-5,8,11-17H2,(H,33,34);2*3,5-6,8-9,16,19,21,25H,1-2,4,7,10-15,17H2,(H,33,34);5-10,19,21,25H,1-4,11-17H2,(H,33,34);2*3-4,10-11,13-14,22,26H,2,5-9,12,15-18H2,1H3;7-12,22-23H,2-6,13-17H2,1H3,(H,26,27)(H,29,30)/t20-,25?;21-,25+;21-,25-;21-,25+;22-,26+;22-,26-;22-,23-/m1111111/s1
InChIKeyBSKOGDOOLGCHLT-BJKVFWQHSA-N
XLogP32.57
TPSA454.51 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds47
Heavy Atoms229
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003233.68
LogP ≤ 532.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1R)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid?
The IUPAC name of (1R)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid (CID 157447674) is (1R)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for (1R)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid?
The canonical SMILES for (1R)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid is CC(=O)[C@@H](c1ccccc1Cl)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.CC(=O)[C@H](c1ccccc1Cl)N1CC[C@@H](OCCCCc2ccc3c(n2)CCCC3)C1.Cc1ccc([C@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)NCCC4)C2)cc1.O=C(O)C(c1ccccc1Cl)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@@H](c1cccc(Cl)c1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccc(Cl)cc1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1cccc(Cl)c1)N1CC[C@@H](C(=O)N2CCC(c3ccc4c(n3)CCCC4)CC2)C1.
What is the InChIKey of (1R)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid?
The InChIKey is BSKOGDOOLGCHLT-BJKVFWQHSA-N. The full InChI is InChI=1S/4C27H32ClN3O3.2C26H33ClN2O2.C25H33N3O3/c28-22-7-3-2-6-21(22)25(27(33)34)31-16-13-20(17-31)26(32)30-14-11-19(12-15-30)24-10-9-18-5-1-4-8-23(18)29-24;2*28-22-6-3-5-20(16-22)25(27(33)34)31-15-12-21(17-31)26(32)30-13-10-19(11-14-30)24-9-8-18-4-1-2-7-23(18)29-24;28-22-8-5-20(6-9-22)25(27(33)34)31-16-13-21(17-31)26(32)30-14-11-19(12-15-30)24-10-7-18-3-1-2-4-23(18)29-24;2*1-19(30)26(23-10-3-4-11-24(23)27)29-16-15-22(18-29)31-17-7-6-9-21-14-13-20-8-2-5-12-25(20)28-21;1-18-7-9-19(10-8-18)23(25(29)30)28-15-13-22(17-28)31-16-3-2-6-21-12-11-20-5-4-14-26-24(20)27-21/h2-3,6-7,9-10,19-20,25H,1,4-5,8,11-17H2,(H,33,34);2*3,5-6,8-9,16,19,21,25H,1-2,4,7,10-15,17H2,(H,33,34);5-10,19,21,25H,1-4,11-17H2,(H,33,34);2*3-4,10-11,13-14,22,26H,2,5-9,12,15-18H2,1H3;7-12,22-23H,2-6,13-17H2,1H3,(H,26,27)(H,29,30)/t20-,25?;21-,25+;21-,25-;21-,25+;22-,26+;22-,26-;22-,23-/m1111111/s1.
What are the key properties of (1R)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid?
(1R)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid has a molecular weight of 3233.68 g/mol, XLogP of 32.57, 47 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;(1S)-1-(2-chlorophenyl)-1-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]propan-2-one;2-(2-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(3-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-(4-chlorophenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(4-methylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 157447674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).