6-isocyano-4-phenyl-1H-quinolin-2-one

C16H10N2O — CID 135070008

IUPAC6-isocyano-4-phenyl-1H-quinolin-2-one
SMILES[C-]#[N+]c1ccc2[nH]c(=O)cc(-c3ccccc3)c2c1
InChIInChI=1S/C16H10N2O/c1-17-12-7-8-15-14(9-12)13(10-16(19)18-15)11-5-3-2-4-6-11/h2-10H,(H,18,19)
InChIKeyBPEMADFTSCNDJW-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.75
Rot. Bonds1

About 6-isocyano-4-phenyl-1H-quinolin-2-one

6-isocyano-4-phenyl-1H-quinolin-2-one (PubChem CID 135070008) has the molecular formula C16H10N2O and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-isocyano-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-isocyano-4-phenyl-1H-quinolin-2-one
PubChem CID135070008
Molecular FormulaC16H10N2O
Molecular Weight246.27 g/mol
Exact Mass246.08
IUPAC Name6-isocyano-4-phenyl-1H-quinolin-2-one
SMILES[C-]#[N+]c1ccc2[nH]c(=O)cc(-c3ccccc3)c2c1
InChIInChI=1S/C16H10N2O/c1-17-12-7-8-15-14(9-12)13(10-16(19)18-15)11-5-3-2-4-6-11/h2-10H,(H,18,19)
InChIKeyBPEMADFTSCNDJW-UHFFFAOYSA-N
XLogP3.75
TPSA37.22 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-isocyano-9H-carbazole
CID 162480729
4-phenyl-6-(2-phenyl-1,3-dioxolan-2-yl)-1H-quinolin-2-one
CID 18715598
4-(4-hydroxyphenyl)-1H-quinolin-2-one
CID 71473069
6-isocyano-1,4-dihydroquinoxaline-2,3-dione
CID 58475441
4-(4-methoxyphenyl)-6-methyl-1H-quinolin-2-one
CID 139231028
2-oxo-N-(2-phenylphenyl)-1H-quinoline-4-carboxamide
CID 2540380
8-bromo-4-phenyl-1H-quinolin-2-one
CID 43322930
3-[5-isocyano-2-(2-phenylphenyl)phenyl]-4-(2-phenylphenyl)benzonitrile
CID 58947599
4-phenoxy-6-phenyl-1H-quinolin-2-one
CID 59237326
4-(3,4-dichlorophenyl)-1H-quinolin-2-one
CID 18987231
6-bromo-4-(3-ethenylphenyl)-1H-quinolin-2-one
CID 168914692
5-methyl-4,6-diphenyl-1H-pyridin-2-one
CID 14120548

Frequently Asked Questions

What is the IUPAC name of 6-isocyano-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-isocyano-4-phenyl-1H-quinolin-2-one (CID 135070008) is 6-isocyano-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-isocyano-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-isocyano-4-phenyl-1H-quinolin-2-one is [C-]#[N+]c1ccc2[nH]c(=O)cc(-c3ccccc3)c2c1.
What is the InChIKey of 6-isocyano-4-phenyl-1H-quinolin-2-one?
The InChIKey is BPEMADFTSCNDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O/c1-17-12-7-8-15-14(9-12)13(10-16(19)18-15)11-5-3-2-4-6-11/h2-10H,(H,18,19).
What are the key properties of 6-isocyano-4-phenyl-1H-quinolin-2-one?
6-isocyano-4-phenyl-1H-quinolin-2-one has a molecular weight of 246.27 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-isocyano-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 135070008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).