2-[3-(dimethylamino)propylamino]-3-phenylquinazolin-4-one

C19H22N4O — CID 53368642

IUPAC2-[3-(dimethylamino)propylamino]-3-phenylquinazolin-4-one
SMILESCN(C)CCCNc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C19H22N4O/c1-22(2)14-8-13-20-19-21-17-12-7-6-11-16(17)18(24)23(19)15-9-4-3-5-10-15/h3-7,9-12H,8,13-14H2,1-2H3,(H,20,21)
InChIKeyLNTQIUTZJVBSOL-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.75
Rot. Bonds6

About 2-[3-(dimethylamino)propylamino]-3-phenylquinazolin-4-one

2-[3-(dimethylamino)propylamino]-3-phenylquinazolin-4-one (PubChem CID 53368642) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-3-phenylquinazolin-4-one
PubChem CID53368642
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-[3-(dimethylamino)propylamino]-3-phenylquinazolin-4-one
SMILESCN(C)CCCNc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C19H22N4O/c1-22(2)14-8-13-20-19-21-17-12-7-6-11-16(17)18(24)23(19)15-9-4-3-5-10-15/h3-7,9-12H,8,13-14H2,1-2H3,(H,20,21)
InChIKeyLNTQIUTZJVBSOL-UHFFFAOYSA-N
XLogP2.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)ethyl]-3-phenylquinazolin-4-one
CID 3239245
3-phenyl-2-(propan-2-ylamino)quinazolin-4-one
CID 11011362
2-[2-(dimethylamino)ethylamino]-3-[(2S)-1-methoxypropan-2-yl]quinazolin-4-one
CID 95266323
2-ethyl-3-phenylquinazolin-4-one
CID 719985
1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-phenylurea
CID 42715578
5-[2-(dimethylamino)ethylamino]quinazolino[2,1-b]quinazolin-12-one
CID 134096041
2-[1-[2-(dimethylamino)ethylamino]propyl]-3-(3-methylphenyl)quinazolin-4-one
CID 4996568
4-[3-(dimethylamino)propylamino]-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile
CID 162752614
2-[(2Z)-2-[1-(2-methoxyphenyl)ethylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 6070250
2-[[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]methyl]phenol
CID 58796990
N-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 90678504
2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 6513719

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-3-phenylquinazolin-4-one (CID 53368642) is 2-[3-(dimethylamino)propylamino]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-3-phenylquinazolin-4-one is CN(C)CCCNc1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-3-phenylquinazolin-4-one?
The InChIKey is LNTQIUTZJVBSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-22(2)14-8-13-20-19-21-17-12-7-6-11-16(17)18(24)23(19)15-9-4-3-5-10-15/h3-7,9-12H,8,13-14H2,1-2H3,(H,20,21).
What are the key properties of 2-[3-(dimethylamino)propylamino]-3-phenylquinazolin-4-one?
2-[3-(dimethylamino)propylamino]-3-phenylquinazolin-4-one has a molecular weight of 322.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]-3-phenylquinazolin-4-one is sourced from PubChem (CID 53368642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).