1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one

C17H12N2O — CID 74395294

IUPAC1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc2ccccc2n1)c1ccncc1
InChIInChI=1S/C17H12N2O/c20-17(14-9-11-18-12-10-14)8-7-15-6-5-13-3-1-2-4-16(13)19-15/h1-12H
InChIKeyUJJUKZPBUMCSJZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.53
Rot. Bonds3

About 1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one

1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one (PubChem CID 74395294) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one
PubChem CID74395294
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc2ccccc2n1)c1ccncc1
InChIInChI=1S/C17H12N2O/c20-17(14-9-11-18-12-10-14)8-7-15-6-5-13-3-1-2-4-16(13)19-15/h1-12H
InChIKeyUJJUKZPBUMCSJZ-UHFFFAOYSA-N
XLogP3.53
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one
CID 66760009
(E)-1-[4-(pyrrolidine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one
CID 11595580
(E)-1-[4-(4-acetylpiperazine-1-carbonyl)phenyl]-3-quinolin-2-ylprop-2-en-1-one
CID 11718577
3-quinolin-2-yl-1-thiophen-2-ylprop-2-en-1-one
CID 126839455
1-[4-(3-quinolin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxylic acid
CID 67013380
methyl 3-quinolin-2-ylprop-2-enoate
CID 513392
(E)-3-phenyl-1-pyridin-4-ylprop-2-en-1-one
CID 5355548
1-[4-[(E)-3-quinolin-2-ylprop-2-enoyl]benzoyl]pyrrolidine-2-carboxamide
CID 11538566
2-(3-methylbuta-1,3-dienyl)quinoline
CID 1274018
(E)-N,N-diethyl-3-quinolin-2-ylprop-2-enamide
CID 110486560
(E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one
CID 5357476
4-hydroxy-3-[(E)-3-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]prop-2-enoyl]benzoic acid
CID 10622076

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one?
The IUPAC name of 1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one (CID 74395294) is 1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one.
What is the SMILES notation for 1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one?
The canonical SMILES for 1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one is O=C(C=Cc1ccc2ccccc2n1)c1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one?
The InChIKey is UJJUKZPBUMCSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c20-17(14-9-11-18-12-10-14)8-7-15-6-5-13-3-1-2-4-16(13)19-15/h1-12H.
What are the key properties of 1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one?
1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one has a molecular weight of 260.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one is sourced from PubChem (CID 74395294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).