3-[(4-bromophenyl)methylamino]-2-(2-methoxyphenyl)quinazolin-4-one

C22H18BrN3O2 — CID 24987957

IUPAC3-[(4-bromophenyl)methylamino]-2-(2-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccccc1-c1nc2ccccc2c(=O)n1NCc1ccc(Br)cc1
InChIInChI=1S/C22H18BrN3O2/c1-28-20-9-5-3-7-18(20)21-25-19-8-4-2-6-17(19)22(27)26(21)24-14-15-10-12-16(23)13-11-15/h2-13,24H,14H2,1H3
InChIKeyBFDHHROMOLITAZ-UHFFFAOYSA-N
MW436.31 g/mol
LogP4.58
Rot. Bonds5

About 3-[(4-bromophenyl)methylamino]-2-(2-methoxyphenyl)quinazolin-4-one

3-[(4-bromophenyl)methylamino]-2-(2-methoxyphenyl)quinazolin-4-one (PubChem CID 24987957) has the molecular formula C22H18BrN3O2 and a molecular weight of 436.31 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methylamino]-2-(2-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-[(4-bromophenyl)methylamino]-2-(2-methoxyphenyl)quinazolin-4-one
PubChem CID24987957
Molecular FormulaC22H18BrN3O2
Molecular Weight436.31 g/mol
Exact Mass435.06
IUPAC Name3-[(4-bromophenyl)methylamino]-2-(2-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccccc1-c1nc2ccccc2c(=O)n1NCc1ccc(Br)cc1
InChIInChI=1S/C22H18BrN3O2/c1-28-20-9-5-3-7-18(20)21-25-19-8-4-2-6-17(19)22(27)26(21)24-14-15-10-12-16(23)13-11-15/h2-13,24H,14H2,1H3
InChIKeyBFDHHROMOLITAZ-UHFFFAOYSA-N
XLogP4.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.31
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-bromophenyl)methylamino]-2-(3,5-dimethoxyphenyl)quinazolin-4-one
CID 24990560
3-anilino-2-(2-methoxyphenyl)quinazolin-4-one
CID 134956314
3-[(4-bromophenyl)methylamino]-2-(2-fluorophenyl)-6-methoxyquinazolin-4-one
CID 24988336
3-[(4-bromophenyl)methylamino]-2-(4-hydroxyphenyl)quinazolin-4-one
CID 135871074
3-[(4-methoxyphenyl)methylamino]-2-(3-methylphenyl)quinazolin-4-one
CID 23907241
3-amino-2-(2-methoxyphenyl)quinazolin-4-one
CID 805125
3-[(5-bromo-2-hydroxyphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 6615114
3-[[4-(difluoromethoxy)phenyl]methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 6615142
3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one
CID 3389245
3-[(2-hydroxy-3-methoxyphenyl)methylamino]-2-pyridin-4-ylquinazolin-4-one
CID 23992350
3-[(2-ethoxyphenyl)methylamino]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 23761607
3-[(2,3-dimethoxyphenyl)methylamino]-2-thiophen-2-ylquinazolin-4-one
CID 23962291

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methylamino]-2-(2-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 3-[(4-bromophenyl)methylamino]-2-(2-methoxyphenyl)quinazolin-4-one (CID 24987957) is 3-[(4-bromophenyl)methylamino]-2-(2-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 3-[(4-bromophenyl)methylamino]-2-(2-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 3-[(4-bromophenyl)methylamino]-2-(2-methoxyphenyl)quinazolin-4-one is COc1ccccc1-c1nc2ccccc2c(=O)n1NCc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methylamino]-2-(2-methoxyphenyl)quinazolin-4-one?
The InChIKey is BFDHHROMOLITAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O2/c1-28-20-9-5-3-7-18(20)21-25-19-8-4-2-6-17(19)22(27)26(21)24-14-15-10-12-16(23)13-11-15/h2-13,24H,14H2,1H3.
What are the key properties of 3-[(4-bromophenyl)methylamino]-2-(2-methoxyphenyl)quinazolin-4-one?
3-[(4-bromophenyl)methylamino]-2-(2-methoxyphenyl)quinazolin-4-one has a molecular weight of 436.31 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methylamino]-2-(2-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 24987957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).