3-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)oxetane-3-carbonitrile

C14H12N2O3 — CID 116922262

IUPAC3-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)oxetane-3-carbonitrile
SMILESN#CC1(C(=O)c2ccc3c(c2)CCC(=O)N3)COC1
InChIInChI=1S/C14H12N2O3/c15-6-14(7-19-8-14)13(18)10-1-3-11-9(5-10)2-4-12(17)16-11/h1,3,5H,2,4,7-8H2,(H,16,17)
InChIKeyXKTLIPINGCFOIY-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.29
Rot. Bonds2

About 3-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)oxetane-3-carbonitrile

3-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)oxetane-3-carbonitrile (PubChem CID 116922262) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)oxetane-3-carbonitrile
PubChem CID116922262
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name3-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)oxetane-3-carbonitrile
SMILESN#CC1(C(=O)c2ccc3c(c2)CCC(=O)N3)COC1
InChIInChI=1S/C14H12N2O3/c15-6-14(7-19-8-14)13(18)10-1-3-11-9(5-10)2-4-12(17)16-11/h1,3,5H,2,4,7-8H2,(H,16,17)
InChIKeyXKTLIPINGCFOIY-UHFFFAOYSA-N
XLogP1.29
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
6-(cyclohexanecarbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 43160672
2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
CID 82480129
6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915356
6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 70502328
6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 107979594
2-[[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]acetic acid
CID 82485450
6-(C-methyl-N-morpholin-4-ylcarbonimidoyl)-3,4-dihydro-1H-quinolin-2-one
CID 91942406
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-cyanobenzoate
CID 18288037
6-(2,6-dichlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43160665
N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103728105
N-(2-tert-butylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110858427

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)oxetane-3-carbonitrile?
The IUPAC name of 3-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)oxetane-3-carbonitrile (CID 116922262) is 3-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)oxetane-3-carbonitrile.
What is the SMILES notation for 3-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)oxetane-3-carbonitrile?
The canonical SMILES for 3-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)oxetane-3-carbonitrile is N#CC1(C(=O)c2ccc3c(c2)CCC(=O)N3)COC1.
What is the InChIKey of 3-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)oxetane-3-carbonitrile?
The InChIKey is XKTLIPINGCFOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c15-6-14(7-19-8-14)13(18)10-1-3-11-9(5-10)2-4-12(17)16-11/h1,3,5H,2,4,7-8H2,(H,16,17).
What are the key properties of 3-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)oxetane-3-carbonitrile?
3-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)oxetane-3-carbonitrile has a molecular weight of 256.26 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)oxetane-3-carbonitrile is sourced from PubChem (CID 116922262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).