N-(6-aminohexyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide

C22H25N3O3 — CID 54712310

IUPACN-(6-aminohexyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
SMILESNCCCCCCNC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C22H25N3O3/c23-14-8-1-2-9-15-24-21(27)19-20(26)17-12-6-7-13-18(17)25(22(19)28)16-10-4-3-5-11-16/h3-7,10-13,26H,1-2,8-9,14-15,23H2,(H,24,27)
InChIKeyQXMYAVVFXRDBPA-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.95
Rot. Bonds8

About N-(6-aminohexyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide

N-(6-aminohexyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide (PubChem CID 54712310) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(6-aminohexyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
PubChem CID54712310
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(6-aminohexyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
SMILESNCCCCCCNC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C22H25N3O3/c23-14-8-1-2-9-15-24-21(27)19-20(26)17-12-6-7-13-18(17)25(22(19)28)16-10-4-3-5-11-16/h3-7,10-13,26H,1-2,8-9,14-15,23H2,(H,24,27)
InChIKeyQXMYAVVFXRDBPA-UHFFFAOYSA-N
XLogP2.95
TPSA97.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 71814744
N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54731614
N-(2-ethylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54731601
N-(4-ethylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54736636
prop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate
CID 54737721
4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one
CID 110273136
(E)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)-5-phenylpent-4-ene-1,3-dione
CID 54722131
1-ethyl-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide
CID 54683762
4-(2-bromoethylamino)-2-oxo-1-phenylquinoline-3-carboxylic acid
CID 140992885
N-[2-(dimethylamino)ethyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride
CID 54736678
1-ethyl-N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride
CID 54686774
1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54685643

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide?
The IUPAC name of N-(6-aminohexyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide (CID 54712310) is N-(6-aminohexyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide.
What is the SMILES notation for N-(6-aminohexyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide?
The canonical SMILES for N-(6-aminohexyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide is NCCCCCCNC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O.
What is the InChIKey of N-(6-aminohexyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide?
The InChIKey is QXMYAVVFXRDBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c23-14-8-1-2-9-15-24-21(27)19-20(26)17-12-6-7-13-18(17)25(22(19)28)16-10-4-3-5-11-16/h3-7,10-13,26H,1-2,8-9,14-15,23H2,(H,24,27).
What are the key properties of N-(6-aminohexyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide?
N-(6-aminohexyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.95, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide is sourced from PubChem (CID 54712310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).