1-(2-hydroxyethyl)-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]quinolin-2-one

C24H19N3O3 — CID 134330276

IUPAC1-(2-hydroxyethyl)-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]quinolin-2-one
SMILESO=C(/C=C/c1cncnc1)c1c(-c2ccccc2)c2ccccc2n(CCO)c1=O
InChIInChI=1S/C24H19N3O3/c28-13-12-27-20-9-5-4-8-19(20)22(18-6-2-1-3-7-18)23(24(27)30)21(29)11-10-17-14-25-16-26-15-17/h1-11,14-16,28H,12-13H2/b11-10+
InChIKeyOKTDQBUWNAGMJK-ZHACJKMWSA-N
MW397.43 g/mol
LogP3.35
Rot. Bonds6

About 1-(2-hydroxyethyl)-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]quinolin-2-one

1-(2-hydroxyethyl)-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]quinolin-2-one (PubChem CID 134330276) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]quinolin-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]quinolin-2-one
PubChem CID134330276
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name1-(2-hydroxyethyl)-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]quinolin-2-one
SMILESO=C(/C=C/c1cncnc1)c1c(-c2ccccc2)c2ccccc2n(CCO)c1=O
InChIInChI=1S/C24H19N3O3/c28-13-12-27-20-9-5-4-8-19(20)22(18-6-2-1-3-7-18)23(24(27)30)21(29)11-10-17-14-25-16-26-15-17/h1-11,14-16,28H,12-13H2/b11-10+
InChIKeyOKTDQBUWNAGMJK-ZHACJKMWSA-N
XLogP3.35
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-phenyl-2-prop-2-enoxyquinolin-3-yl)-3-pyrimidin-5-ylprop-2-en-1-one
CID 142752367
1-butyl-4-hydroxy-3-(3-phenylprop-2-enoyl)quinolin-2-one
CID 54711057
6-chloro-1-ethyl-3-[(E)-3-(1-ethylbenzimidazol-2-yl)prop-2-enoyl]-4-phenylquinolin-2-one
CID 134247952
1-benzyl-6-chloro-3-[(E)-3-(1-methylbenzimidazol-2-yl)prop-2-enoyl]-4-phenylquinolin-2-one
CID 145149240
4-phenyl-3-[(E)-3-pyridin-4-ylprop-2-enoyl]-1H-quinolin-2-one
CID 75538876
1-ethyl-4-hydroxy-3-(3-naphthalen-2-ylprop-2-enoyl)quinolin-2-one
CID 54704797
6-chloro-3-[(E)-3-(5-chloro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 134247975
3-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-1-ethyl-4-hydroxyquinolin-2-one
CID 72545564
(E)-3-phenyl-1-[10-[(E)-3-phenylprop-2-enoyl]anthracen-9-yl]prop-2-en-1-one
CID 6221715
5-phenylimidazo[1,5-a]quinoline-4-carboxylic acid
CID 16755302
1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
CID 82243055
3-(2-hydroxyethyl)-2-phenylquinazolin-4-one
CID 854542

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]quinolin-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]quinolin-2-one (CID 134330276) is 1-(2-hydroxyethyl)-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]quinolin-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]quinolin-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]quinolin-2-one is O=C(/C=C/c1cncnc1)c1c(-c2ccccc2)c2ccccc2n(CCO)c1=O.
What is the InChIKey of 1-(2-hydroxyethyl)-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]quinolin-2-one?
The InChIKey is OKTDQBUWNAGMJK-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H19N3O3/c28-13-12-27-20-9-5-4-8-19(20)22(18-6-2-1-3-7-18)23(24(27)30)21(29)11-10-17-14-25-16-26-15-17/h1-11,14-16,28H,12-13H2/b11-10+.
What are the key properties of 1-(2-hydroxyethyl)-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]quinolin-2-one?
1-(2-hydroxyethyl)-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]quinolin-2-one has a molecular weight of 397.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]quinolin-2-one is sourced from PubChem (CID 134330276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).