(2-bromo-4-methylphenyl)-quinolin-7-ylmethanone

C17H12BrNO — CID 115790968

IUPAC(2-bromo-4-methylphenyl)-quinolin-7-ylmethanone
SMILESCc1ccc(C(=O)c2ccc3cccnc3c2)c(Br)c1
InChIInChI=1S/C17H12BrNO/c1-11-4-7-14(15(18)9-11)17(20)13-6-5-12-3-2-8-19-16(12)10-13/h2-10H,1H3
InChIKeyVNBYNYPFJQVCPD-UHFFFAOYSA-N
MW326.19 g/mol
LogP4.54
Rot. Bonds2

About (2-bromo-4-methylphenyl)-quinolin-7-ylmethanone

(2-bromo-4-methylphenyl)-quinolin-7-ylmethanone (PubChem CID 115790968) has the molecular formula C17H12BrNO and a molecular weight of 326.19 g/mol. Its IUPAC name is (2-bromo-4-methylphenyl)-quinolin-7-ylmethanone.

Molecular Properties

Compound Name(2-bromo-4-methylphenyl)-quinolin-7-ylmethanone
PubChem CID115790968
Molecular FormulaC17H12BrNO
Molecular Weight326.19 g/mol
Exact Mass325.01
IUPAC Name(2-bromo-4-methylphenyl)-quinolin-7-ylmethanone
SMILESCc1ccc(C(=O)c2ccc3cccnc3c2)c(Br)c1
InChIInChI=1S/C17H12BrNO/c1-11-4-7-14(15(18)9-11)17(20)13-6-5-12-3-2-8-19-16(12)10-13/h2-10H,1H3
InChIKeyVNBYNYPFJQVCPD-UHFFFAOYSA-N
XLogP4.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-fluorophenyl)-quinolin-7-ylmethanone
CID 115790959
(4-bromo-2-fluorophenyl)-quinolin-7-ylmethanone
CID 114905760
(2-amino-5-bromophenyl)-quinolin-7-ylmethanone
CID 82704143
(2-fluorophenyl)-quinolin-7-ylmethanone
CID 81220480
(5-methylfuran-3-yl)-quinolin-7-ylmethanone
CID 115790931
quinolin-7-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 115790977
(4-aminophenyl)-quinolin-7-ylmethanone
CID 116548753
(4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone
CID 115790953
1-quinolin-7-ylprop-2-en-1-one
CID 103453564
(6-methoxypyrimidin-4-yl)-quinolin-7-ylmethanone
CID 102950015
(4-fluoro-3-methoxyphenyl)-quinolin-7-ylmethanone
CID 115790996
4-methyl-2-quinolin-7-yloxybenzoic acid
CID 107313379

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methylphenyl)-quinolin-7-ylmethanone?
The IUPAC name of (2-bromo-4-methylphenyl)-quinolin-7-ylmethanone (CID 115790968) is (2-bromo-4-methylphenyl)-quinolin-7-ylmethanone.
What is the SMILES notation for (2-bromo-4-methylphenyl)-quinolin-7-ylmethanone?
The canonical SMILES for (2-bromo-4-methylphenyl)-quinolin-7-ylmethanone is Cc1ccc(C(=O)c2ccc3cccnc3c2)c(Br)c1.
What is the InChIKey of (2-bromo-4-methylphenyl)-quinolin-7-ylmethanone?
The InChIKey is VNBYNYPFJQVCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO/c1-11-4-7-14(15(18)9-11)17(20)13-6-5-12-3-2-8-19-16(12)10-13/h2-10H,1H3.
What are the key properties of (2-bromo-4-methylphenyl)-quinolin-7-ylmethanone?
(2-bromo-4-methylphenyl)-quinolin-7-ylmethanone has a molecular weight of 326.19 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methylphenyl)-quinolin-7-ylmethanone is sourced from PubChem (CID 115790968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).