(3R)-2-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

C20H18ClN3O2 — CID 97152965

IUPAC(3R)-2-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESNC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(=O)c2cccc(Cl)c2[nH]1
InChIInChI=1S/C20H18ClN3O2/c21-16-7-3-6-15-18(25)9-14(23-19(15)16)11-24-10-13-5-2-1-4-12(13)8-17(24)20(22)26/h1-7,9,17H,8,10-11H2,(H2,22,26)(H,23,25)/t17-/m1/s1
InChIKeyKHSCEWGYMHOGHK-QGZVFWFLSA-N
MW367.84 g/mol
LogP2.59
Rot. Bonds3

About (3R)-2-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

(3R)-2-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 97152965) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is (3R)-2-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-2-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID97152965
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name(3R)-2-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESNC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(=O)c2cccc(Cl)c2[nH]1
InChIInChI=1S/C20H18ClN3O2/c21-16-7-3-6-15-18(25)9-14(23-19(15)16)11-24-10-13-5-2-1-4-12(13)8-17(24)20(22)26/h1-7,9,17H,8,10-11H2,(H2,22,26)(H,23,25)/t17-/m1/s1
InChIKeyKHSCEWGYMHOGHK-QGZVFWFLSA-N
XLogP2.59
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-2-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide with MolForge

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Related Compounds

1-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxamide
CID 135090544
(3S)-2-[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 87040234
2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 17459602
2-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 77089392
(3S)-2-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 99832420
(3R)-2-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 39965035
(3S)-2-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55934817
(3S)-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55930345
8-chloro-2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-quinolin-4-one
CID 135117930
2-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 75438446
2-[(2-bromo-4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 17437916
(3R)-2-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 99936822

Frequently Asked Questions

What is the IUPAC name of (3R)-2-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of (3R)-2-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 97152965) is (3R)-2-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-2-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for (3R)-2-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is NC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(=O)c2cccc(Cl)c2[nH]1.
What is the InChIKey of (3R)-2-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is KHSCEWGYMHOGHK-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-16-7-3-6-15-18(25)9-14(23-19(15)16)11-24-10-13-5-2-1-4-12(13)8-17(24)20(22)26/h1-7,9,17H,8,10-11H2,(H2,22,26)(H,23,25)/t17-/m1/s1.
What are the key properties of (3R)-2-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
(3R)-2-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 97152965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).