3-amino-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile

C10H9N3O — CID 78166490

IUPAC3-amino-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile
SMILESN#Cc1ccc2c(c1)NC(=O)C(N)C2
InChIInChI=1S/C10H9N3O/c11-5-6-1-2-7-4-8(12)10(14)13-9(7)3-6/h1-3,8H,4,12H2,(H,13,14)
InChIKeyATLLNQCRESDHPE-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.38
Rot. Bonds

About 3-amino-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile

3-amino-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile (PubChem CID 78166490) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-amino-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile.

Molecular Properties

Compound Name3-amino-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile
PubChem CID78166490
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name3-amino-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile
SMILESN#Cc1ccc2c(c1)NC(=O)C(N)C2
InChIInChI=1S/C10H9N3O/c11-5-6-1-2-7-4-8(12)10(14)13-9(7)3-6/h1-3,8H,4,12H2,(H,13,14)
InChIKeyATLLNQCRESDHPE-UHFFFAOYSA-N
XLogP0.38
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-7-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 86339030
3-amino-3,4-dihydro-1H-quinolin-2-one;hydroiodide
CID 17234022
6-cyano-2,3-dihydro-1H-indole-2-carboxylic acid
CID 130001280
3-(3-amino-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-9-yl)benzonitrile
CID 76575992
3-amino-2,3-dihydro-1H-indole-6-carbonitrile
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3-(6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)-2-oxo-1,3-dihydroindole-5-carbonitrile
CID 56948376
2-oxo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxaline-6-carbonitrile
CID 113444626
2-oxo-3-piperidin-4-yl-1,3-dihydroindole-5-carbonitrile
CID 118145957
2-(7-cyano-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetic acid
CID 84626498
1-amino-3,3-difluoro-1,2-dihydroindene-5-carbonitrile
CID 58686799
10-oxo-9H-anthracene-2,6-dicarbonitrile
CID 154632317
3-(2-methylsulfanylethyl)-2-oxo-3,4-dihydro-1H-quinoxaline-6-carbonitrile
CID 104715993

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile?
The IUPAC name of 3-amino-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile (CID 78166490) is 3-amino-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile.
What is the SMILES notation for 3-amino-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile?
The canonical SMILES for 3-amino-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile is N#Cc1ccc2c(c1)NC(=O)C(N)C2.
What is the InChIKey of 3-amino-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile?
The InChIKey is ATLLNQCRESDHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-5-6-1-2-7-4-8(12)10(14)13-9(7)3-6/h1-3,8H,4,12H2,(H,13,14).
What are the key properties of 3-amino-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile?
3-amino-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile has a molecular weight of 187.20 g/mol, XLogP of 0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile is sourced from PubChem (CID 78166490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).