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

C17H21N3O3 — CID 56885073

IUPACN-[(4-hydroxyazepan-4-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide
SMILESO=C(NCC1(O)CCCNCC1)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C17H21N3O3/c21-15-10-14(20-13-5-2-1-4-12(13)15)16(22)19-11-17(23)6-3-8-18-9-7-17/h1-2,4-5,10,18,23H,3,6-9,11H2,(H,19,22)(H,20,21)
InChIKeyDGWJIHOYDOXZMQ-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.76
Rot. Bonds3

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

N-[(4-hydroxyazepan-4-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide (PubChem CID 56885073) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(4-hydroxyazepan-4-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyazepan-4-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide
PubChem CID56885073
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[(4-hydroxyazepan-4-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide
SMILESO=C(NCC1(O)CCCNCC1)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C17H21N3O3/c21-15-10-14(20-13-5-2-1-4-12(13)15)16(22)19-11-17(23)6-3-8-18-9-7-17/h1-2,4-5,10,18,23H,3,6-9,11H2,(H,19,22)(H,20,21)
InChIKeyDGWJIHOYDOXZMQ-UHFFFAOYSA-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

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Related Compounds

N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 95708416
N-ethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47115379
benzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate
CID 125117285
N-[(1-hydroxycyclobutyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 111779687
N-[[(4R)-4-hydroxyazepan-4-yl]methyl]-3,5-dimethylbenzamide
CID 95722997
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95718758
3-(1H-benzimidazol-2-yl)-N-[[(4R)-4-hydroxyazepan-4-yl]methyl]propanamide
CID 95706979
4-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1H-quinoline-2-carboxamide
CID 51091615
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 95719731
N-[(4-hydroxyazepan-4-yl)methyl]quinoxaline-6-carboxamide
CID 56894854
2-[2-[(4-oxo-1H-quinoline-2-carbonyl)amino]ethoxy]acetic acid
CID 79469166
N-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide
CID 56601767

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyazepan-4-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide?
The IUPAC name of N-[(4-hydroxyazepan-4-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide (CID 56885073) is N-[(4-hydroxyazepan-4-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide.
What is the SMILES notation for N-[(4-hydroxyazepan-4-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide?
The canonical SMILES for N-[(4-hydroxyazepan-4-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide is O=C(NCC1(O)CCCNCC1)c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of N-[(4-hydroxyazepan-4-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide?
The InChIKey is DGWJIHOYDOXZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-15-10-14(20-13-5-2-1-4-12(13)15)16(22)19-11-17(23)6-3-8-18-9-7-17/h1-2,4-5,10,18,23H,3,6-9,11H2,(H,19,22)(H,20,21).
What are the key properties of N-[(4-hydroxyazepan-4-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide?
N-[(4-hydroxyazepan-4-yl)methyl]-4-oxo-1H-quinoline-2-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-[(4-hydroxyazepan-4-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide is sourced from PubChem (CID 56885073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).