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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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).