5-(5-methoxy-3-pyridinyl)-3-phenyl-2-(propylaminomethyl)quinazolin-4-one

C24H24N4O2 — CID 144779762

IUPAC5-(5-methoxy-3-pyridinyl)-3-phenyl-2-(propylaminomethyl)quinazolin-4-one
SMILESCCCNCc1nc2cccc(-c3cncc(OC)c3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-3-12-25-16-22-27-21-11-7-10-20(17-13-19(30-2)15-26-14-17)23(21)24(29)28(22)18-8-5-4-6-9-18/h4-11,13-15,25H,3,12,16H2,1-2H3
InChIKeyGXEQIDOZWDNLGB-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.96
Rot. Bonds7

About 5-(5-methoxy-3-pyridinyl)-3-phenyl-2-(propylaminomethyl)quinazolin-4-one

5-(5-methoxy-3-pyridinyl)-3-phenyl-2-(propylaminomethyl)quinazolin-4-one (PubChem CID 144779762) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 5-(5-methoxy-3-pyridinyl)-3-phenyl-2-(propylaminomethyl)quinazolin-4-one.

Molecular Properties

Compound Name5-(5-methoxy-3-pyridinyl)-3-phenyl-2-(propylaminomethyl)quinazolin-4-one
PubChem CID144779762
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name5-(5-methoxy-3-pyridinyl)-3-phenyl-2-(propylaminomethyl)quinazolin-4-one
SMILESCCCNCc1nc2cccc(-c3cncc(OC)c3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-3-12-25-16-22-27-21-11-7-10-20(17-13-19(30-2)15-26-14-17)23(21)24(29)28(22)18-8-5-4-6-9-18/h4-11,13-15,25H,3,12,16H2,1-2H3
InChIKeyGXEQIDOZWDNLGB-UHFFFAOYSA-N
XLogP3.96
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-3-phenyl-5-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-one
CID 144954674
2-(butylaminomethyl)-3-(4-methoxyphenyl)quinazolin-4-one
CID 131874393
5-[3-(dimethylamino)phenyl]-2-ethyl-3-phenylquinazolin-4-one
CID 144954508
2-amino-4-[[5-(2-methoxy-4-pyridinyl)-4-oxo-3-phenylquinazolin-2-yl]methylamino]pyrimidine-5-carbonitrile
CID 118493729
8-(5-methoxy-3-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one
CID 71235801
6-methoxy-3-phenyl-2-propylquinazolin-4-one
CID 154639055
5-bromo-3-phenyl-2-propylquinazolin-4-one
CID 142506267
N'-[(1S)-1-[8-(5-methoxy-3-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-5-(methylamino)-N-methylidene-1,3-thiazole-4-carboximidamide
CID 137067563
5-(2-methoxy-4-pyridinyl)-3-phenyl-2-(4-sulfanylpentan-2-yl)quinazolin-4-one
CID 144954600
2-[5-chloro-3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 90237261
2-amino-4-[[(1S)-1-[5-[5-(difluoromethoxy)-3-pyridinyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 90290967
2,4-diaminopyrimidine-5-carbonitrile;2-ethyl-5-(4-methylphenyl)-3-phenylquinazolin-4-one
CID 144954835

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-3-pyridinyl)-3-phenyl-2-(propylaminomethyl)quinazolin-4-one?
The IUPAC name of 5-(5-methoxy-3-pyridinyl)-3-phenyl-2-(propylaminomethyl)quinazolin-4-one (CID 144779762) is 5-(5-methoxy-3-pyridinyl)-3-phenyl-2-(propylaminomethyl)quinazolin-4-one.
What is the SMILES notation for 5-(5-methoxy-3-pyridinyl)-3-phenyl-2-(propylaminomethyl)quinazolin-4-one?
The canonical SMILES for 5-(5-methoxy-3-pyridinyl)-3-phenyl-2-(propylaminomethyl)quinazolin-4-one is CCCNCc1nc2cccc(-c3cncc(OC)c3)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 5-(5-methoxy-3-pyridinyl)-3-phenyl-2-(propylaminomethyl)quinazolin-4-one?
The InChIKey is GXEQIDOZWDNLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-3-12-25-16-22-27-21-11-7-10-20(17-13-19(30-2)15-26-14-17)23(21)24(29)28(22)18-8-5-4-6-9-18/h4-11,13-15,25H,3,12,16H2,1-2H3.
What are the key properties of 5-(5-methoxy-3-pyridinyl)-3-phenyl-2-(propylaminomethyl)quinazolin-4-one?
5-(5-methoxy-3-pyridinyl)-3-phenyl-2-(propylaminomethyl)quinazolin-4-one has a molecular weight of 400.48 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-3-pyridinyl)-3-phenyl-2-(propylaminomethyl)quinazolin-4-one is sourced from PubChem (CID 144779762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).