(2S)-N-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-N-(2-methoxyethyl)oxolane-2-carboxamide

C27H29ClN2O3 — CID 26327843

IUPAC(2S)-N-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-N-(2-methoxyethyl)oxolane-2-carboxamide
SMILESCOCCN(Cc1cc2cc3c(cc2nc1-c1ccc(Cl)cc1)CCC3)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C27H29ClN2O3/c1-32-13-11-30(27(31)25-6-3-12-33-25)17-22-15-21-14-19-4-2-5-20(19)16-24(21)29-26(22)18-7-9-23(28)10-8-18/h7-10,14-16,25H,2-6,11-13,17H2,1H3/t25-/m0/s1
InChIKeySIBWEAMJXCSQOJ-VWLOTQADSA-N
MW464.99 g/mol
LogP5.20
Rot. Bonds7

About (2S)-N-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-N-(2-methoxyethyl)oxolane-2-carboxamide

(2S)-N-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-N-(2-methoxyethyl)oxolane-2-carboxamide (PubChem CID 26327843) has the molecular formula C27H29ClN2O3 and a molecular weight of 464.99 g/mol. Its IUPAC name is (2S)-N-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-N-(2-methoxyethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-N-(2-methoxyethyl)oxolane-2-carboxamide
PubChem CID26327843
Molecular FormulaC27H29ClN2O3
Molecular Weight464.99 g/mol
Exact Mass464.19
IUPAC Name(2S)-N-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-N-(2-methoxyethyl)oxolane-2-carboxamide
SMILESCOCCN(Cc1cc2cc3c(cc2nc1-c1ccc(Cl)cc1)CCC3)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C27H29ClN2O3/c1-32-13-11-30(27(31)25-6-3-12-33-25)17-22-15-21-14-19-4-2-5-20(19)16-24(21)29-26(22)18-7-9-23(28)10-8-18/h7-10,14-16,25H,2-6,11-13,17H2,1H3/t25-/m0/s1
InChIKeySIBWEAMJXCSQOJ-VWLOTQADSA-N
XLogP5.20
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.99
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-N-(2-methoxyethyl)oxolane-2-carboxamide with MolForge

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Related Compounds

(2R)-N-(2-methoxyethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
CID 2036915
(2R)-N-(2-methoxyethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
CID 2037041
N-[[7-methoxy-2-(2-methylphenyl)quinolin-3-yl]methyl]-N-(3-methoxypropyl)oxolane-2-carboxamide
CID 45240875
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-[[2-(4-hydroxypiperidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]oxolane-2-carboxamide
CID 42466505
N-[[2-(4-chlorophenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 98342964
(2S)-N-[[6-(dimethylamino)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide
CID 26359031
N-[[6-(3-chlorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-(2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 25465139
2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid
CID 119193651
(2S)-N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)oxolane-2-carboxamide
CID 91662725
(2R)-N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44536275
N-(3-methoxypropyl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]cyclohexanecarboxamide
CID 42482769
N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 42406669

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-N-(2-methoxyethyl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-N-(2-methoxyethyl)oxolane-2-carboxamide (CID 26327843) is (2S)-N-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-N-(2-methoxyethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-N-(2-methoxyethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-N-(2-methoxyethyl)oxolane-2-carboxamide is COCCN(Cc1cc2cc3c(cc2nc1-c1ccc(Cl)cc1)CCC3)C(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-N-(2-methoxyethyl)oxolane-2-carboxamide?
The InChIKey is SIBWEAMJXCSQOJ-VWLOTQADSA-N. The full InChI is InChI=1S/C27H29ClN2O3/c1-32-13-11-30(27(31)25-6-3-12-33-25)17-22-15-21-14-19-4-2-5-20(19)16-24(21)29-26(22)18-7-9-23(28)10-8-18/h7-10,14-16,25H,2-6,11-13,17H2,1H3/t25-/m0/s1.
What are the key properties of (2S)-N-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-N-(2-methoxyethyl)oxolane-2-carboxamide?
(2S)-N-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-N-(2-methoxyethyl)oxolane-2-carboxamide has a molecular weight of 464.99 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-(4-chlorophenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-N-(2-methoxyethyl)oxolane-2-carboxamide is sourced from PubChem (CID 26327843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).