(1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(3S)-3-[5-(4-chlorophenyl)-2-cyclopropyl-7-methylquinolin-6-yl]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ol;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

C128H144Cl5N9O11 — CID 158583465

IUPAC(1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(3S)-3-[5-(4-chlorophenyl)-2-cyclopropyl-7-methylquinolin-6-yl]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ol;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
SMILESC=C(O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(C3CC3)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(N(C)C)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(N3CCOCC3)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(NC3CC3)ccc2c1-c1ccc(Cl)cc1.CNc1ccc2c(-c3ccc(Cl)cc3)c([C@H](OC(C)(C)C)C(C)=O)c(C)cc2n1
InChIInChI=1S/C27H31ClN2O3.C26H29ClN2O2.C26H28ClNO2.C25H29ClN2O2.C24H27ClN2O2/c1-17-16-22-21(10-11-23(29-22)30-12-14-32-15-13-30)25(19-6-8-20(28)9-7-19)24(17)26(18(2)31)33-27(3,4)5;1-15-14-21-20(12-13-22(29-21)28-19-10-11-19)24(17-6-8-18(27)9-7-17)23(15)25(16(2)30)31-26(3,4)5;1-15-14-22-20(12-13-21(28-22)17-6-7-17)24(18-8-10-19(27)11-9-18)23(15)25(16(2)29)30-26(3,4)5;1-15-14-20-19(12-13-21(27-20)28(6)7)23(17-8-10-18(26)11-9-17)22(15)24(16(2)29)30-25(3,4)5;1-14-13-19-18(11-12-20(26-6)27-19)22(16-7-9-17(25)10-8-16)21(14)23(15(2)28)29-24(3,4)5/h6-11,16,26H,12-15H2,1-5H3;6-9,12-14,19,25H,10-11H2,1-5H3,(H,28,29);8-14,17,25,29H,2,6-7H2,1,3-5H3;8-14,24H,1-7H3;7-13,23H,1-6H3,(H,26,27)/t26-;2*25-;24-;23-/m11111/s1
InChIKeyHTNNXPYEKBJGOR-NDSCHXNHSA-N
MW2161.88 g/mol
LogP33.42
Rot. Bonds26

About (1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(3S)-3-[5-(4-chlorophenyl)-2-cyclopropyl-7-methylquinolin-6-yl]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ol;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

(1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(3S)-3-[5-(4-chlorophenyl)-2-cyclopropyl-7-methylquinolin-6-yl]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ol;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (PubChem CID 158583465) has the molecular formula C128H144Cl5N9O11 and a molecular weight of 2161.88 g/mol. Its IUPAC name is (1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(3S)-3-[5-(4-chlorophenyl)-2-cyclopropyl-7-methylquinolin-6-yl]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ol;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.

Molecular Properties

Compound Name(1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(3S)-3-[5-(4-chlorophenyl)-2-cyclopropyl-7-methylquinolin-6-yl]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ol;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
PubChem CID158583465
Molecular FormulaC128H144Cl5N9O11
Molecular Weight2161.88 g/mol
Exact Mass2157.94
IUPAC Name(1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(3S)-3-[5-(4-chlorophenyl)-2-cyclopropyl-7-methylquinolin-6-yl]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ol;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
SMILESC=C(O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(C3CC3)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(N(C)C)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(N3CCOCC3)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(NC3CC3)ccc2c1-c1ccc(Cl)cc1.CNc1ccc2c(-c3ccc(Cl)cc3)c([C@H](OC(C)(C)C)C(C)=O)c(C)cc2n1
InChIInChI=1S/C27H31ClN2O3.C26H29ClN2O2.C26H28ClNO2.C25H29ClN2O2.C24H27ClN2O2/c1-17-16-22-21(10-11-23(29-22)30-12-14-32-15-13-30)25(19-6-8-20(28)9-7-19)24(17)26(18(2)31)33-27(3,4)5;1-15-14-21-20(12-13-22(29-21)28-19-10-11-19)24(17-6-8-18(27)9-7-17)23(15)25(16(2)30)31-26(3,4)5;1-15-14-22-20(12-13-21(28-22)17-6-7-17)24(18-8-10-19(27)11-9-18)23(15)25(16(2)29)30-26(3,4)5;1-15-14-20-19(12-13-21(27-20)28(6)7)23(17-8-10-18(26)11-9-17)22(15)24(16(2)29)30-25(3,4)5;1-14-13-19-18(11-12-20(26-6)27-19)22(16-7-9-17(25)10-8-16)21(14)23(15(2)28)29-24(3,4)5/h6-11,16,26H,12-15H2,1-5H3;6-9,12-14,19,25H,10-11H2,1-5H3,(H,28,29);8-14,17,25,29H,2,6-7H2,1,3-5H3;8-14,24H,1-7H3;7-13,23H,1-6H3,(H,26,27)/t26-;2*25-;24-;23-/m11111/s1
InChIKeyHTNNXPYEKBJGOR-NDSCHXNHSA-N
XLogP33.42
TPSA238.88 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002161.88
LogP ≤ 533.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(3S)-3-[5-(4-chlorophenyl)-2-cyclopropyl-7-methylquinolin-6-yl]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ol;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one with MolForge

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Related Compounds

(S)-2-tert-butoxy-2-(5-(4-chlorophenyl)-7-methyl-2-morpholinoquinolin-6-yl)acetic acid
CID 56644640
(2S)-2-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 56644641
(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 56645056
(2S)-2-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 56645256
2-[5-(4-Chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 76384275
2-[5-(4-Chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 76384276
2-[5-(4-Chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 76384377
2-[5-(4-Chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 76384425
(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 89746741
2-Butoxy-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]acetic acid
CID 152720399
(1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-[3-(2-methoxyethoxy)propylamino]-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(pyridin-4-ylmethylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 157236740
(1S)-1-[2-(4-chloroanilino)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2-(4-chlorophenoxy)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-pyrrolidin-1-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 157463782

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(3S)-3-[5-(4-chlorophenyl)-2-cyclopropyl-7-methylquinolin-6-yl]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ol;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
The IUPAC name of (1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(3S)-3-[5-(4-chlorophenyl)-2-cyclopropyl-7-methylquinolin-6-yl]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ol;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (CID 158583465) is (1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(3S)-3-[5-(4-chlorophenyl)-2-cyclopropyl-7-methylquinolin-6-yl]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ol;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.
What is the SMILES notation for (1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(3S)-3-[5-(4-chlorophenyl)-2-cyclopropyl-7-methylquinolin-6-yl]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ol;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
The canonical SMILES for (1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(3S)-3-[5-(4-chlorophenyl)-2-cyclopropyl-7-methylquinolin-6-yl]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ol;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is C=C(O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(C3CC3)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(N(C)C)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(N3CCOCC3)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(NC3CC3)ccc2c1-c1ccc(Cl)cc1.CNc1ccc2c(-c3ccc(Cl)cc3)c([C@H](OC(C)(C)C)C(C)=O)c(C)cc2n1.
What is the InChIKey of (1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(3S)-3-[5-(4-chlorophenyl)-2-cyclopropyl-7-methylquinolin-6-yl]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ol;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
The InChIKey is HTNNXPYEKBJGOR-NDSCHXNHSA-N. The full InChI is InChI=1S/C27H31ClN2O3.C26H29ClN2O2.C26H28ClNO2.C25H29ClN2O2.C24H27ClN2O2/c1-17-16-22-21(10-11-23(29-22)30-12-14-32-15-13-30)25(19-6-8-20(28)9-7-19)24(17)26(18(2)31)33-27(3,4)5;1-15-14-21-20(12-13-22(29-21)28-19-10-11-19)24(17-6-8-18(27)9-7-17)23(15)25(16(2)30)31-26(3,4)5;1-15-14-22-20(12-13-21(28-22)17-6-7-17)24(18-8-10-19(27)11-9-18)23(15)25(16(2)29)30-26(3,4)5;1-15-14-20-19(12-13-21(27-20)28(6)7)23(17-8-10-18(26)11-9-17)22(15)24(16(2)29)30-25(3,4)5;1-14-13-19-18(11-12-20(26-6)27-19)22(16-7-9-17(25)10-8-16)21(14)23(15(2)28)29-24(3,4)5/h6-11,16,26H,12-15H2,1-5H3;6-9,12-14,19,25H,10-11H2,1-5H3,(H,28,29);8-14,17,25,29H,2,6-7H2,1,3-5H3;8-14,24H,1-7H3;7-13,23H,1-6H3,(H,26,27)/t26-;2*25-;24-;23-/m11111/s1.
What are the key properties of (1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(3S)-3-[5-(4-chlorophenyl)-2-cyclopropyl-7-methylquinolin-6-yl]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ol;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
(1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(3S)-3-[5-(4-chlorophenyl)-2-cyclopropyl-7-methylquinolin-6-yl]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ol;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one has a molecular weight of 2161.88 g/mol, XLogP of 33.42, 26 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(4-chlorophenyl)-2-(cyclopropylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(3S)-3-[5-(4-chlorophenyl)-2-cyclopropyl-7-methylquinolin-6-yl]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ol;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-(methylamino)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is sourced from PubChem (CID 158583465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).