(1-carbamoylcyclohexyl) 2-oxo-1H-quinoline-3-carboxylate

C17H18N2O4 — CID 90686038

IUPAC(1-carbamoylcyclohexyl) 2-oxo-1H-quinoline-3-carboxylate
SMILESNC(=O)C1(OC(=O)c2cc3ccccc3[nH]c2=O)CCCCC1
InChIInChI=1S/C17H18N2O4/c18-16(22)17(8-4-1-5-9-17)23-15(21)12-10-11-6-2-3-7-13(11)19-14(12)20/h2-3,6-7,10H,1,4-5,8-9H2,(H2,18,22)(H,19,20)
InChIKeyMWWZEOSQGLDXEH-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.87
Rot. Bonds3

About (1-carbamoylcyclohexyl) 2-oxo-1H-quinoline-3-carboxylate

(1-carbamoylcyclohexyl) 2-oxo-1H-quinoline-3-carboxylate (PubChem CID 90686038) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is (1-carbamoylcyclohexyl) 2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Name(1-carbamoylcyclohexyl) 2-oxo-1H-quinoline-3-carboxylate
PubChem CID90686038
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name(1-carbamoylcyclohexyl) 2-oxo-1H-quinoline-3-carboxylate
SMILESNC(=O)C1(OC(=O)c2cc3ccccc3[nH]c2=O)CCCCC1
InChIInChI=1S/C17H18N2O4/c18-16(22)17(8-4-1-5-9-17)23-15(21)12-10-11-6-2-3-7-13(11)19-14(12)20/h2-3,6-7,10H,1,4-5,8-9H2,(H2,18,22)(H,19,20)
InChIKeyMWWZEOSQGLDXEH-UHFFFAOYSA-N
XLogP1.87
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-carbamoylcyclobutyl) 1H-indole-2-carboxylate
CID 91407160
N-cyclohexyl-2-oxo-1H-quinoline-3-carboxamide
CID 11011060
(1-carbamoylcyclohexyl) 1,2-dihydroquinoline-3-carboxylate
CID 91127883
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
N,N-dimethyl-2-oxo-1H-quinoline-3-carboxamide
CID 14117619
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 95708416
3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one
CID 56752764
3-(3-hydroxynaphthalene-2-carbonyl)-1H-quinolin-2-one
CID 628875
3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one;hydrochloride
CID 154889705
3-(4-methylpiperidine-1-carbonyl)-1H-quinolin-2-one
CID 16589973
N-[(2S)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-oxo-1H-quinoline-3-carboxamide
CID 99827233
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide
CID 25384816

Frequently Asked Questions

What is the IUPAC name of (1-carbamoylcyclohexyl) 2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of (1-carbamoylcyclohexyl) 2-oxo-1H-quinoline-3-carboxylate (CID 90686038) is (1-carbamoylcyclohexyl) 2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for (1-carbamoylcyclohexyl) 2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for (1-carbamoylcyclohexyl) 2-oxo-1H-quinoline-3-carboxylate is NC(=O)C1(OC(=O)c2cc3ccccc3[nH]c2=O)CCCCC1.
What is the InChIKey of (1-carbamoylcyclohexyl) 2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is MWWZEOSQGLDXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c18-16(22)17(8-4-1-5-9-17)23-15(21)12-10-11-6-2-3-7-13(11)19-14(12)20/h2-3,6-7,10H,1,4-5,8-9H2,(H2,18,22)(H,19,20).
What are the key properties of (1-carbamoylcyclohexyl) 2-oxo-1H-quinoline-3-carboxylate?
(1-carbamoylcyclohexyl) 2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 314.34 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoylcyclohexyl) 2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 90686038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).