(2S)-N-(8-chloroquinolin-5-yl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide

C16H17ClN4O2 — CID 125164718

IUPAC(2S)-N-(8-chloroquinolin-5-yl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
SMILESC[C@H]1CNC(=O)CCN1C(=O)Nc1ccc(Cl)c2ncccc12
InChIInChI=1S/C16H17ClN4O2/c1-10-9-19-14(22)6-8-21(10)16(23)20-13-5-4-12(17)15-11(13)3-2-7-18-15/h2-5,7,10H,6,8-9H2,1H3,(H,19,22)(H,20,23)/t10-/m0/s1
InChIKeyCGLSDNNUDUDVIO-JTQLQIEISA-N
MW332.79 g/mol
LogP2.63
Rot. Bonds1

About (2S)-N-(8-chloroquinolin-5-yl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide

(2S)-N-(8-chloroquinolin-5-yl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide (PubChem CID 125164718) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is (2S)-N-(8-chloroquinolin-5-yl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(8-chloroquinolin-5-yl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
PubChem CID125164718
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name(2S)-N-(8-chloroquinolin-5-yl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
SMILESC[C@H]1CNC(=O)CCN1C(=O)Nc1ccc(Cl)c2ncccc12
InChIInChI=1S/C16H17ClN4O2/c1-10-9-19-14(22)6-8-21(10)16(23)20-13-5-4-12(17)15-11(13)3-2-7-18-15/h2-5,7,10H,6,8-9H2,1H3,(H,19,22)(H,20,23)/t10-/m0/s1
InChIKeyCGLSDNNUDUDVIO-JTQLQIEISA-N
XLogP2.63
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(8-chloroquinolin-5-yl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(8-chloroquinolin-5-yl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 125164719
(2R)-N-(5-fluoro-2-methylphenyl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 97434325
N-[3-[(2-methoxyacetyl)amino]-2-methylphenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 72891428
(2S)-1-(3-hydroxypyridine-2-carbonyl)-2-methyl-1,4-diazepan-5-one
CID 95190418
2-(azetidin-3-yl)-N-(8-chloroquinolin-5-yl)acetamide
CID 64617391
2-methyl-5-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1,4-diazepane-1-carboxamide
CID 118772558
N-(5-chloroquinolin-8-yl)-4-methylpiperidine-1-carboxamide
CID 115581912
(2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 97444034
2-bromo-N-(8-chloroquinolin-5-yl)propanamide
CID 107903962
(2S)-2-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]phenyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 97435617
(2S)-1-(2-chloro-5-pyrazol-1-ylbenzoyl)-2-methyl-1,4-diazepan-5-one
CID 95222617
N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide
CID 116783798

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(8-chloroquinolin-5-yl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide?
The IUPAC name of (2S)-N-(8-chloroquinolin-5-yl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide (CID 125164718) is (2S)-N-(8-chloroquinolin-5-yl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide.
What is the SMILES notation for (2S)-N-(8-chloroquinolin-5-yl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide?
The canonical SMILES for (2S)-N-(8-chloroquinolin-5-yl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide is C[C@H]1CNC(=O)CCN1C(=O)Nc1ccc(Cl)c2ncccc12.
What is the InChIKey of (2S)-N-(8-chloroquinolin-5-yl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide?
The InChIKey is CGLSDNNUDUDVIO-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-10-9-19-14(22)6-8-21(10)16(23)20-13-5-4-12(17)15-11(13)3-2-7-18-15/h2-5,7,10H,6,8-9H2,1H3,(H,19,22)(H,20,23)/t10-/m0/s1.
What are the key properties of (2S)-N-(8-chloroquinolin-5-yl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide?
(2S)-N-(8-chloroquinolin-5-yl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(8-chloroquinolin-5-yl)-2-methyl-5-oxo-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 125164718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).