3-(5-amino-2-methylphenyl)-6-(4-methylpiperazin-1-yl)quinazolin-4-one

C20H23N5O — CID 22238167

IUPAC3-(5-amino-2-methylphenyl)-6-(4-methylpiperazin-1-yl)quinazolin-4-one
SMILESCc1ccc(N)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O
InChIInChI=1S/C20H23N5O/c1-14-3-4-15(21)11-19(14)25-13-22-18-6-5-16(12-17(18)20(25)26)24-9-7-23(2)8-10-24/h3-6,11-13H,7-10,21H2,1-2H3
InChIKeyVAWZJWVBNCQFHB-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.03
Rot. Bonds2

About 3-(5-amino-2-methylphenyl)-6-(4-methylpiperazin-1-yl)quinazolin-4-one

3-(5-amino-2-methylphenyl)-6-(4-methylpiperazin-1-yl)quinazolin-4-one (PubChem CID 22238167) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-(5-amino-2-methylphenyl)-6-(4-methylpiperazin-1-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-(5-amino-2-methylphenyl)-6-(4-methylpiperazin-1-yl)quinazolin-4-one
PubChem CID22238167
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-(5-amino-2-methylphenyl)-6-(4-methylpiperazin-1-yl)quinazolin-4-one
SMILESCc1ccc(N)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O
InChIInChI=1S/C20H23N5O/c1-14-3-4-15(21)11-19(14)25-13-22-18-6-5-16(12-17(18)20(25)26)24-9-7-23(2)8-10-24/h3-6,11-13H,7-10,21H2,1-2H3
InChIKeyVAWZJWVBNCQFHB-UHFFFAOYSA-N
XLogP2.03
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]benzamide
CID 70687994
3,5-difluoro-N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]benzamide
CID 22238193
6-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one
CID 139668161
methyl 3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzoate
CID 68603298
N-cyclopropyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-4-(trifluoromethyl)benzamide
CID 11271381
N-cyclopropyl-3-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918991
3-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 11997015
3-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)-4-oxoquinazoline-8-carbonitrile
CID 141154107
N-cyclopropyl-4-methyl-3-[6-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinazolin-3-yl]benzamide
CID 11350585
N-cyclopropyl-4-methyl-3-[6-(1-methylpiperidin-4-yl)oxy-4-oxoquinazolin-3-yl]benzamide
CID 11316420
2-cyclopropyl-4-methyl-3-[4-oxo-6-(4-propan-2-ylpiperazin-1-yl)quinazolin-3-yl]benzamide
CID 141117639
3-(6-bromo-4-oxoquinazolin-3-yl)-4-methylbenzoic acid
CID 69229431

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-methylphenyl)-6-(4-methylpiperazin-1-yl)quinazolin-4-one?
The IUPAC name of 3-(5-amino-2-methylphenyl)-6-(4-methylpiperazin-1-yl)quinazolin-4-one (CID 22238167) is 3-(5-amino-2-methylphenyl)-6-(4-methylpiperazin-1-yl)quinazolin-4-one.
What is the SMILES notation for 3-(5-amino-2-methylphenyl)-6-(4-methylpiperazin-1-yl)quinazolin-4-one?
The canonical SMILES for 3-(5-amino-2-methylphenyl)-6-(4-methylpiperazin-1-yl)quinazolin-4-one is Cc1ccc(N)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O.
What is the InChIKey of 3-(5-amino-2-methylphenyl)-6-(4-methylpiperazin-1-yl)quinazolin-4-one?
The InChIKey is VAWZJWVBNCQFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-3-4-15(21)11-19(14)25-13-22-18-6-5-16(12-17(18)20(25)26)24-9-7-23(2)8-10-24/h3-6,11-13H,7-10,21H2,1-2H3.
What are the key properties of 3-(5-amino-2-methylphenyl)-6-(4-methylpiperazin-1-yl)quinazolin-4-one?
3-(5-amino-2-methylphenyl)-6-(4-methylpiperazin-1-yl)quinazolin-4-one has a molecular weight of 349.44 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-methylphenyl)-6-(4-methylpiperazin-1-yl)quinazolin-4-one is sourced from PubChem (CID 22238167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).