(5R)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C17H23N3O3 — CID 52549510

IUPAC(5R)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESNC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)C1CCCCC1
InChIInChI=1S/C17H23N3O3/c18-15(21)12-9-11-13(7-4-8-14(11)20-17(12)23)19-16(22)10-5-2-1-3-6-10/h9-10,13H,1-8H2,(H2,18,21)(H,19,22)(H,20,23)/t13-/m1/s1
InChIKeyXHNQHEFJCWDNGN-CYBMUJFWSA-N
MW317.39 g/mol
LogP1.55
Rot. Bonds3

About (5R)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

(5R)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 52549510) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (5R)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(5R)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID52549510
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(5R)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESNC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)C1CCCCC1
InChIInChI=1S/C17H23N3O3/c18-15(21)12-9-11-13(7-4-8-14(11)20-17(12)23)19-16(22)10-5-2-1-3-6-10/h9-10,13H,1-8H2,(H2,18,21)(H,19,22)(H,20,23)/t13-/m1/s1
InChIKeyXHNQHEFJCWDNGN-CYBMUJFWSA-N
XLogP1.55
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (5R)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-hydroxy-6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51054870
2-hydroxy-6-methyl-N-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51054875
N-[2-(dimethylamino)ethyl]-2-hydroxy-6-methyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51054968
N-(cyclohexylmethyl)-N-cyclopropyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 71938311
(1S,11R)-2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201191
N-isopropyl-2-oxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 56922070
2-cyclopentyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide
CID 132344928
(4aR,8aS)-6-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 164642381
6-(4,4-Difluorocyclohexanecarbonyl)-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxamide
CID 176208583
N-cyclohexyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 4415979
N-methyl-N-(2-methylcyclohexyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53514391
1-butyl-N-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 23587851

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of (5R)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 52549510) is (5R)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for (5R)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for (5R)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)C1CCCCC1.
What is the InChIKey of (5R)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is XHNQHEFJCWDNGN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N3O3/c18-15(21)12-9-11-13(7-4-8-14(11)20-17(12)23)19-16(22)10-5-2-1-3-6-10/h9-10,13H,1-8H2,(H2,18,21)(H,19,22)(H,20,23)/t13-/m1/s1.
What are the key properties of (5R)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
(5R)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(cyclohexanecarbonylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 52549510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).