7-amino-3-benzyl-6-bromoquinazolin-4-one

C15H12BrN3O — CID 102442740

IUPAC7-amino-3-benzyl-6-bromoquinazolin-4-one
SMILESNc1cc2ncn(Cc3ccccc3)c(=O)c2cc1Br
InChIInChI=1S/C15H12BrN3O/c16-12-6-11-14(7-13(12)17)18-9-19(15(11)20)8-10-4-2-1-3-5-10/h1-7,9H,8,17H2
InChIKeyRFEHVSBCMVUYSE-UHFFFAOYSA-N
MW330.19 g/mol
LogP2.79
Rot. Bonds2

About 7-amino-3-benzyl-6-bromoquinazolin-4-one

7-amino-3-benzyl-6-bromoquinazolin-4-one (PubChem CID 102442740) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 7-amino-3-benzyl-6-bromoquinazolin-4-one.

Molecular Properties

Compound Name7-amino-3-benzyl-6-bromoquinazolin-4-one
PubChem CID102442740
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name7-amino-3-benzyl-6-bromoquinazolin-4-one
SMILESNc1cc2ncn(Cc3ccccc3)c(=O)c2cc1Br
InChIInChI=1S/C15H12BrN3O/c16-12-6-11-14(7-13(12)17)18-9-19(15(11)20)8-10-4-2-1-3-5-10/h1-7,9H,8,17H2
InChIKeyRFEHVSBCMVUYSE-UHFFFAOYSA-N
XLogP2.79
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-7-bromoquinazolin-4-one
CID 23158166
3-benzyl-7-hydrazinylquinazolin-4-one
CID 69437236
3-benzyl-6-hydroxy-7-methylquinazolin-4-one
CID 58824218
3-benzyl-7-fluoroquinazolin-4-one
CID 17474862
3-[(4-aminophenyl)methyl]-6-bromoquinazolin-4-one
CID 62055159
6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
CID 3414977
3-benzyl-7-ethoxy-6-hydroxyquinazolin-4-one
CID 58896663
3-benzylpyrido[4,3-d]pyrimidin-4-one
CID 102429043
N-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide
CID 25155077
7-bromo-3-(2-phenylethyl)quinazolin-4-one
CID 79035663
6-azido-3-benzylquinazolin-4-one
CID 152596490
3-[(3-phenylphenyl)methyl]quinazolin-4-one
CID 121275766

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-benzyl-6-bromoquinazolin-4-one?
The IUPAC name of 7-amino-3-benzyl-6-bromoquinazolin-4-one (CID 102442740) is 7-amino-3-benzyl-6-bromoquinazolin-4-one.
What is the SMILES notation for 7-amino-3-benzyl-6-bromoquinazolin-4-one?
The canonical SMILES for 7-amino-3-benzyl-6-bromoquinazolin-4-one is Nc1cc2ncn(Cc3ccccc3)c(=O)c2cc1Br.
What is the InChIKey of 7-amino-3-benzyl-6-bromoquinazolin-4-one?
The InChIKey is RFEHVSBCMVUYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c16-12-6-11-14(7-13(12)17)18-9-19(15(11)20)8-10-4-2-1-3-5-10/h1-7,9H,8,17H2.
What are the key properties of 7-amino-3-benzyl-6-bromoquinazolin-4-one?
7-amino-3-benzyl-6-bromoquinazolin-4-one has a molecular weight of 330.19 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-benzyl-6-bromoquinazolin-4-one is sourced from PubChem (CID 102442740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).