1-(4-phenyl-2-prop-2-enoxyquinolin-3-yl)-3-pyrimidin-5-ylprop-2-en-1-one

C25H19N3O2 — CID 142752367

IUPAC1-(4-phenyl-2-prop-2-enoxyquinolin-3-yl)-3-pyrimidin-5-ylprop-2-en-1-one
SMILESC=CCOc1nc2ccccc2c(-c2ccccc2)c1C(=O)C=Cc1cncnc1
InChIInChI=1S/C25H19N3O2/c1-2-14-30-25-24(22(29)13-12-18-15-26-17-27-16-18)23(19-8-4-3-5-9-19)20-10-6-7-11-21(20)28-25/h2-13,15-17H,1,14H2
InChIKeyNJWUGKBRZWFDKD-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.15
Rot. Bonds7

About 1-(4-phenyl-2-prop-2-enoxyquinolin-3-yl)-3-pyrimidin-5-ylprop-2-en-1-one

1-(4-phenyl-2-prop-2-enoxyquinolin-3-yl)-3-pyrimidin-5-ylprop-2-en-1-one (PubChem CID 142752367) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-(4-phenyl-2-prop-2-enoxyquinolin-3-yl)-3-pyrimidin-5-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-(4-phenyl-2-prop-2-enoxyquinolin-3-yl)-3-pyrimidin-5-ylprop-2-en-1-one
PubChem CID142752367
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name1-(4-phenyl-2-prop-2-enoxyquinolin-3-yl)-3-pyrimidin-5-ylprop-2-en-1-one
SMILESC=CCOc1nc2ccccc2c(-c2ccccc2)c1C(=O)C=Cc1cncnc1
InChIInChI=1S/C25H19N3O2/c1-2-14-30-25-24(22(29)13-12-18-15-26-17-27-16-18)23(19-8-4-3-5-9-19)20-10-6-7-11-21(20)28-25/h2-13,15-17H,1,14H2
InChIKeyNJWUGKBRZWFDKD-UHFFFAOYSA-N
XLogP5.15
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethyl)-4-phenyl-3-[(E)-3-pyrimidin-5-ylprop-2-enoyl]quinolin-2-one
CID 134330276
1-(2,7-dimethyl-4-phenylquinolin-3-yl)-3-(4-ethoxyphenyl)prop-2-en-1-one
CID 126816992
(E)-3-(3-fluorophenyl)-1-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]prop-2-en-1-one
CID 75458521
4-phenyl-3-[(E)-3-pyridin-4-ylprop-2-enoyl]-1H-quinolin-2-one
CID 75538876
(E)-3-phenyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 19608879
(E)-3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one
CID 58026323
1-(4-phenylquinolin-3-yl)-3-pyridin-2-ylprop-2-en-1-one
CID 142752382
3-(4-hydroxy-3-methoxyphenyl)-1-(4-phenylquinolin-3-yl)prop-2-en-1-one
CID 66906700
4-phenylquinoline-2,3-dicarboxylic acid
CID 23469806
(E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(4-ethoxyphenyl)prop-2-en-1-one
CID 44791570
(E)-3-phenyl-1-[10-[(E)-3-phenylprop-2-enoyl]anthracen-9-yl]prop-2-en-1-one
CID 6221715
4-phenyl-3-(3-quinolin-7-ylprop-2-enoyl)-1H-quinolin-2-one
CID 3563965

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyl-2-prop-2-enoxyquinolin-3-yl)-3-pyrimidin-5-ylprop-2-en-1-one?
The IUPAC name of 1-(4-phenyl-2-prop-2-enoxyquinolin-3-yl)-3-pyrimidin-5-ylprop-2-en-1-one (CID 142752367) is 1-(4-phenyl-2-prop-2-enoxyquinolin-3-yl)-3-pyrimidin-5-ylprop-2-en-1-one.
What is the SMILES notation for 1-(4-phenyl-2-prop-2-enoxyquinolin-3-yl)-3-pyrimidin-5-ylprop-2-en-1-one?
The canonical SMILES for 1-(4-phenyl-2-prop-2-enoxyquinolin-3-yl)-3-pyrimidin-5-ylprop-2-en-1-one is C=CCOc1nc2ccccc2c(-c2ccccc2)c1C(=O)C=Cc1cncnc1.
What is the InChIKey of 1-(4-phenyl-2-prop-2-enoxyquinolin-3-yl)-3-pyrimidin-5-ylprop-2-en-1-one?
The InChIKey is NJWUGKBRZWFDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c1-2-14-30-25-24(22(29)13-12-18-15-26-17-27-16-18)23(19-8-4-3-5-9-19)20-10-6-7-11-21(20)28-25/h2-13,15-17H,1,14H2.
What are the key properties of 1-(4-phenyl-2-prop-2-enoxyquinolin-3-yl)-3-pyrimidin-5-ylprop-2-en-1-one?
1-(4-phenyl-2-prop-2-enoxyquinolin-3-yl)-3-pyrimidin-5-ylprop-2-en-1-one has a molecular weight of 393.45 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyl-2-prop-2-enoxyquinolin-3-yl)-3-pyrimidin-5-ylprop-2-en-1-one is sourced from PubChem (CID 142752367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).