4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]cyclohexane-1-carboxamide

C16H23N3O2 — CID 81108809

IUPAC4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NC2CCCc3[nH]c(=O)ccc32)CC1
InChIInChI=1S/C16H23N3O2/c17-16(21)10-4-6-11(7-5-10)18-13-2-1-3-14-12(13)8-9-15(20)19-14/h8-11,13,18H,1-7H2,(H2,17,21)(H,19,20)
InChIKeyHKCUMQCGTOFDIF-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.39
Rot. Bonds3

About 4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]cyclohexane-1-carboxamide

4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]cyclohexane-1-carboxamide (PubChem CID 81108809) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]cyclohexane-1-carboxamide
PubChem CID81108809
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NC2CCCc3[nH]c(=O)ccc32)CC1
InChIInChI=1S/C16H23N3O2/c17-16(21)10-4-6-11(7-5-10)18-13-2-1-3-14-12(13)8-9-15(20)19-14/h8-11,13,18H,1-7H2,(H2,17,21)(H,19,20)
InChIKeyHKCUMQCGTOFDIF-UHFFFAOYSA-N
XLogP1.39
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]cyclohexane-1-carboxamide with MolForge

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Related Compounds

2-cyclopentyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide
CID 132344928
3,13-Diazahexacyclo[14.8.0.02,10.04,9.011,15.019,24]tetracosa-1,5,7,9,11(15),16,18,20,22-nonaene-12,14-dione
CID 172037948
4-amino-N-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide
CID 70974460
4-amino-N-[(3Z,5Z)-5-ethylidenenona-1,3-dien-2-yl]cyclohexane-1-carboxamide
CID 89073783
4-amino-N-[(3E,5E)-6-methyldeca-1,3,5-trien-3-yl]cyclohexane-1-carboxamide
CID 89153819
4-amino-N-[(3E)-5-cyclopentylidenepenta-1,3-dien-3-yl]cyclohexane-1-carboxamide
CID 89214827
(2S)-2-amino-2-cyclohexyl-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)acetamide
CID 141287313
N-cyclohexyl-4-[(2-ethenyl-3-oxocyclopenten-1-yl)amino]cyclohexane-1-carboxamide
CID 158644393
7-(cyclohexylmethyl)-5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one
CID 167438515
7-(2-Cyclohexylethyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione
CID 167438602
4-amino-N-[(3Z)-10-methylidenecyclodeca-1,3-dien-1-yl]cyclohexane-1-carboxamide
CID 173489187
ethane;N-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-4-(prop-2-enoylamino)cyclohexane-1-carboxamide
CID 177358874

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]cyclohexane-1-carboxamide (CID 81108809) is 4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]cyclohexane-1-carboxamide is NC(=O)C1CCC(NC2CCCc3[nH]c(=O)ccc32)CC1.
What is the InChIKey of 4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is HKCUMQCGTOFDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-16(21)10-4-6-11(7-5-10)18-13-2-1-3-14-12(13)8-9-15(20)19-14/h8-11,13,18H,1-7H2,(H2,17,21)(H,19,20).
What are the key properties of 4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]cyclohexane-1-carboxamide?
4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 81108809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).