N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide

C17H21N3O3 — CID 95708416

IUPACN-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NC[C@]1(O)CCCNCC1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C17H21N3O3/c21-15(19-11-17(23)6-3-8-18-9-7-17)13-10-12-4-1-2-5-14(12)20-16(13)22/h1-2,4-5,10,18,23H,3,6-9,11H2,(H,19,21)(H,20,22)/t17-/m0/s1
InChIKeyZVUZAQDRWAUJBJ-KRWDZBQOSA-N
MW315.37 g/mol
LogP0.76
Rot. Bonds3

About N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide

N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 95708416) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID95708416
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NC[C@]1(O)CCCNCC1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C17H21N3O3/c21-15(19-11-17(23)6-3-8-18-9-7-17)13-10-12-4-1-2-5-14(12)20-16(13)22/h1-2,4-5,10,18,23H,3,6-9,11H2,(H,19,21)(H,20,22)/t17-/m0/s1
InChIKeyZVUZAQDRWAUJBJ-KRWDZBQOSA-N
XLogP0.76
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-oxo-1H-quinoline-3-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

N-[(4-hydroxyazepan-4-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide
CID 56885073
N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 86287174
N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 142731854
2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 66951790
3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
CID 65106022
3-(1H-benzimidazol-2-yl)-N-[[(4R)-4-hydroxyazepan-4-yl]methyl]propanamide
CID 95706979
N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 17492319
N-[[(4R)-4-hydroxyazepan-4-yl]methyl]-3,5-dimethylbenzamide
CID 95722997
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95718758
N-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide
CID 120650317
N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731957

Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide (CID 95708416) is N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide is O=C(NC[C@]1(O)CCCNCC1)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is ZVUZAQDRWAUJBJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-15(19-11-17(23)6-3-8-18-9-7-17)13-10-12-4-1-2-5-14(12)20-16(13)22/h1-2,4-5,10,18,23H,3,6-9,11H2,(H,19,21)(H,20,22)/t17-/m0/s1.
What are the key properties of N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide?
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 0.76, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 95708416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).