1-phenyl-3-quinolin-8-yliminobutan-1-one

C19H16N2O — CID 90728099

IUPAC1-phenyl-3-quinolin-8-yliminobutan-1-one
SMILESC/C(CC(=O)c1ccccc1)=N\c1cccc2cccnc12
InChIInChI=1S/C19H16N2O/c1-14(13-18(22)15-7-3-2-4-8-15)21-17-11-5-9-16-10-6-12-20-19(16)17/h2-12H,13H2,1H3/b21-14+
InChIKeyHCMXECMMLQEHQL-KGENOOAVSA-N
MW288.35 g/mol
LogP4.60
Rot. Bonds4

About 1-phenyl-3-quinolin-8-yliminobutan-1-one

1-phenyl-3-quinolin-8-yliminobutan-1-one (PubChem CID 90728099) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-phenyl-3-quinolin-8-yliminobutan-1-one.

Molecular Properties

Compound Name1-phenyl-3-quinolin-8-yliminobutan-1-one
PubChem CID90728099
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name1-phenyl-3-quinolin-8-yliminobutan-1-one
SMILESC/C(CC(=O)c1ccccc1)=N\c1cccc2cccnc12
InChIInChI=1S/C19H16N2O/c1-14(13-18(22)15-7-3-2-4-8-15)21-17-11-5-9-16-10-6-12-20-19(16)17/h2-12H,13H2,1H3/b21-14+
InChIKeyHCMXECMMLQEHQL-KGENOOAVSA-N
XLogP4.60
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium
CID 161336621
5-quinolin-8-yliminoheptan-3-one
CID 139343067
1-[6-(C-methyl-N-quinolin-8-ylcarbonimidoyl)-2-pyridinyl]ethanone
CID 138733938
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
N'-quinolin-8-ylpropanimidamide
CID 63174469
1-phenyl-2-quinolin-8-ylsulfanylethanone
CID 23884541
1-phenyl-3-(2-propan-2-ylsulfanylphenyl)iminobutan-1-one
CID 91324539
lead(2+);1,10-phenanthroline;acetate;benzoate;hydrate
CID 139077114
1-hydroxy-2-quinolin-8-ylguanidine
CID 62484126
1-phenylpropan-1-one;quinoline
CID 174570718
acetic acid;palladium;bis(1,10-phenanthroline)
CID 11261760
3-[2-(1-carboxypropan-2-ylideneamino)phenyl]iminobutanoic acid
CID 91325310

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-quinolin-8-yliminobutan-1-one?
The IUPAC name of 1-phenyl-3-quinolin-8-yliminobutan-1-one (CID 90728099) is 1-phenyl-3-quinolin-8-yliminobutan-1-one.
What is the SMILES notation for 1-phenyl-3-quinolin-8-yliminobutan-1-one?
The canonical SMILES for 1-phenyl-3-quinolin-8-yliminobutan-1-one is C/C(CC(=O)c1ccccc1)=N\c1cccc2cccnc12.
What is the InChIKey of 1-phenyl-3-quinolin-8-yliminobutan-1-one?
The InChIKey is HCMXECMMLQEHQL-KGENOOAVSA-N. The full InChI is InChI=1S/C19H16N2O/c1-14(13-18(22)15-7-3-2-4-8-15)21-17-11-5-9-16-10-6-12-20-19(16)17/h2-12H,13H2,1H3/b21-14+.
What are the key properties of 1-phenyl-3-quinolin-8-yliminobutan-1-one?
1-phenyl-3-quinolin-8-yliminobutan-1-one has a molecular weight of 288.35 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-quinolin-8-yliminobutan-1-one is sourced from PubChem (CID 90728099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).