(3-bromophenyl)-(6,7-dimethylquinazolin-4-yl)methanone

C17H13BrN2O — CID 18685560

IUPAC(3-bromophenyl)-(6,7-dimethylquinazolin-4-yl)methanone
SMILESCc1cc2ncnc(C(=O)c3cccc(Br)c3)c2cc1C
InChIInChI=1S/C17H13BrN2O/c1-10-6-14-15(7-11(10)2)19-9-20-16(14)17(21)12-4-3-5-13(18)8-12/h3-9H,1-2H3
InChIKeyDRGCSEQKKSEVRI-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.24
Rot. Bonds2

About (3-bromophenyl)-(6,7-dimethylquinazolin-4-yl)methanone

(3-bromophenyl)-(6,7-dimethylquinazolin-4-yl)methanone (PubChem CID 18685560) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is (3-bromophenyl)-(6,7-dimethylquinazolin-4-yl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(6,7-dimethylquinazolin-4-yl)methanone
PubChem CID18685560
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name(3-bromophenyl)-(6,7-dimethylquinazolin-4-yl)methanone
SMILESCc1cc2ncnc(C(=O)c3cccc(Br)c3)c2cc1C
InChIInChI=1S/C17H13BrN2O/c1-10-6-14-15(7-11(10)2)19-9-20-16(14)17(21)12-4-3-5-13(18)8-12/h3-9H,1-2H3
InChIKeyDRGCSEQKKSEVRI-UHFFFAOYSA-N
XLogP4.24
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(6,7-dimethylquinazolin-4-yl)methanone?
The IUPAC name of (3-bromophenyl)-(6,7-dimethylquinazolin-4-yl)methanone (CID 18685560) is (3-bromophenyl)-(6,7-dimethylquinazolin-4-yl)methanone.
What is the SMILES notation for (3-bromophenyl)-(6,7-dimethylquinazolin-4-yl)methanone?
The canonical SMILES for (3-bromophenyl)-(6,7-dimethylquinazolin-4-yl)methanone is Cc1cc2ncnc(C(=O)c3cccc(Br)c3)c2cc1C.
What is the InChIKey of (3-bromophenyl)-(6,7-dimethylquinazolin-4-yl)methanone?
The InChIKey is DRGCSEQKKSEVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c1-10-6-14-15(7-11(10)2)19-9-20-16(14)17(21)12-4-3-5-13(18)8-12/h3-9H,1-2H3.
What are the key properties of (3-bromophenyl)-(6,7-dimethylquinazolin-4-yl)methanone?
(3-bromophenyl)-(6,7-dimethylquinazolin-4-yl)methanone has a molecular weight of 341.21 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(6,7-dimethylquinazolin-4-yl)methanone is sourced from PubChem (CID 18685560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).