N-[(4-hydroxyazepan-4-yl)methyl]quinoxaline-6-carboxamide

C16H20N4O2 — CID 56894854

IUPACN-[(4-hydroxyazepan-4-yl)methyl]quinoxaline-6-carboxamide
SMILESO=C(NCC1(O)CCCNCC1)c1ccc2nccnc2c1
InChIInChI=1S/C16H20N4O2/c21-15(20-11-16(22)4-1-6-17-7-5-16)12-2-3-13-14(10-12)19-9-8-18-13/h2-3,8-10,17,22H,1,4-7,11H2,(H,20,21)
InChIKeyOSWJYSVAHJVPIY-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.86
Rot. Bonds3

About N-[(4-hydroxyazepan-4-yl)methyl]quinoxaline-6-carboxamide

N-[(4-hydroxyazepan-4-yl)methyl]quinoxaline-6-carboxamide (PubChem CID 56894854) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(4-hydroxyazepan-4-yl)methyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyazepan-4-yl)methyl]quinoxaline-6-carboxamide
PubChem CID56894854
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[(4-hydroxyazepan-4-yl)methyl]quinoxaline-6-carboxamide
SMILESO=C(NCC1(O)CCCNCC1)c1ccc2nccnc2c1
InChIInChI=1S/C16H20N4O2/c21-15(20-11-16(22)4-1-6-17-7-5-16)12-2-3-13-14(10-12)19-9-8-18-13/h2-3,8-10,17,22H,1,4-7,11H2,(H,20,21)
InChIKeyOSWJYSVAHJVPIY-UHFFFAOYSA-N
XLogP0.86
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(4R)-4-hydroxyazepan-4-yl]methyl]-3,5-dimethylbenzamide
CID 95722997
N-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide
CID 80716840
2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 114326678
N-[1-(bromomethyl)cyclohexyl]quinoxaline-6-carboxamide
CID 114314181
2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide
CID 103752807
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide
CID 95718959
N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]quinoxaline-6-carboxamide
CID 75387673
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95718758
N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide
CID 111445480
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 95719731
N-[(4-hydroxyazepan-4-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide
CID 56885073

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyazepan-4-yl)methyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[(4-hydroxyazepan-4-yl)methyl]quinoxaline-6-carboxamide (CID 56894854) is N-[(4-hydroxyazepan-4-yl)methyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[(4-hydroxyazepan-4-yl)methyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[(4-hydroxyazepan-4-yl)methyl]quinoxaline-6-carboxamide is O=C(NCC1(O)CCCNCC1)c1ccc2nccnc2c1.
What is the InChIKey of N-[(4-hydroxyazepan-4-yl)methyl]quinoxaline-6-carboxamide?
The InChIKey is OSWJYSVAHJVPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-15(20-11-16(22)4-1-6-17-7-5-16)12-2-3-13-14(10-12)19-9-8-18-13/h2-3,8-10,17,22H,1,4-7,11H2,(H,20,21).
What are the key properties of N-[(4-hydroxyazepan-4-yl)methyl]quinoxaline-6-carboxamide?
N-[(4-hydroxyazepan-4-yl)methyl]quinoxaline-6-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyazepan-4-yl)methyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 56894854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).