3-phenyl-2-(propan-2-ylamino)quinazolin-4-one

C17H17N3O — CID 11011362

IUPAC3-phenyl-2-(propan-2-ylamino)quinazolin-4-one
SMILESCC(C)Nc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C17H17N3O/c1-12(2)18-17-19-15-11-7-6-10-14(15)16(21)20(17)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,18,19)
InChIKeySYCNJIKQZPZTEY-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.21
Rot. Bonds3

About 3-phenyl-2-(propan-2-ylamino)quinazolin-4-one

3-phenyl-2-(propan-2-ylamino)quinazolin-4-one (PubChem CID 11011362) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-phenyl-2-(propan-2-ylamino)quinazolin-4-one.

Molecular Properties

Compound Name3-phenyl-2-(propan-2-ylamino)quinazolin-4-one
PubChem CID11011362
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-phenyl-2-(propan-2-ylamino)quinazolin-4-one
SMILESCC(C)Nc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C17H17N3O/c1-12(2)18-17-19-15-11-7-6-10-14(15)16(21)20(17)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,18,19)
InChIKeySYCNJIKQZPZTEY-UHFFFAOYSA-N
XLogP3.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(dimethylamino)propylamino]-3-phenylquinazolin-4-one
CID 53368642
2-ethyl-3-phenylquinazolin-4-one
CID 719985
2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 6513719
3-(3-bromophenyl)-2-hydrazinylquinazolin-4-one
CID 15562170
2-[(2Z)-2-[1-(2-methoxyphenyl)ethylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 6070250
3-phenyl-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinazolin-4-one
CID 6074627
trimethyl-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropyl]azanium
CID 27432
3-(4-chlorophenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one
CID 66690616
7-hydroxy-3-phenyl-2-propan-2-ylquinazolin-4-one
CID 53402974
2-ethoxy-3-phenylquinazolin-4-one
CID 71404213
2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 3640022
3-phenyl-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one
CID 739394

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(propan-2-ylamino)quinazolin-4-one?
The IUPAC name of 3-phenyl-2-(propan-2-ylamino)quinazolin-4-one (CID 11011362) is 3-phenyl-2-(propan-2-ylamino)quinazolin-4-one.
What is the SMILES notation for 3-phenyl-2-(propan-2-ylamino)quinazolin-4-one?
The canonical SMILES for 3-phenyl-2-(propan-2-ylamino)quinazolin-4-one is CC(C)Nc1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 3-phenyl-2-(propan-2-ylamino)quinazolin-4-one?
The InChIKey is SYCNJIKQZPZTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12(2)18-17-19-15-11-7-6-10-14(15)16(21)20(17)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,18,19).
What are the key properties of 3-phenyl-2-(propan-2-ylamino)quinazolin-4-one?
3-phenyl-2-(propan-2-ylamino)quinazolin-4-one has a molecular weight of 279.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(propan-2-ylamino)quinazolin-4-one is sourced from PubChem (CID 11011362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).