6-bromo-4-naphthalen-1-yl-1H-quinolin-2-one

C19H12BrNO — CID 25258121

IUPAC6-bromo-4-naphthalen-1-yl-1H-quinolin-2-one
SMILESO=c1cc(-c2cccc3ccccc23)c2cc(Br)ccc2[nH]1
InChIInChI=1S/C19H12BrNO/c20-13-8-9-18-17(10-13)16(11-19(22)21-18)15-7-3-5-12-4-1-2-6-14(12)15/h1-11H,(H,21,22)
InChIKeyBZLWXPPAKDCLIM-UHFFFAOYSA-N
MW350.22 g/mol
LogP5.11
Rot. Bonds1

About 6-bromo-4-naphthalen-1-yl-1H-quinolin-2-one

6-bromo-4-naphthalen-1-yl-1H-quinolin-2-one (PubChem CID 25258121) has the molecular formula C19H12BrNO and a molecular weight of 350.22 g/mol. Its IUPAC name is 6-bromo-4-naphthalen-1-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-4-naphthalen-1-yl-1H-quinolin-2-one
PubChem CID25258121
Molecular FormulaC19H12BrNO
Molecular Weight350.22 g/mol
Exact Mass349.01
IUPAC Name6-bromo-4-naphthalen-1-yl-1H-quinolin-2-one
SMILESO=c1cc(-c2cccc3ccccc23)c2cc(Br)ccc2[nH]1
InChIInChI=1S/C19H12BrNO/c20-13-8-9-18-17(10-13)16(11-19(22)21-18)15-7-3-5-12-4-1-2-6-14(12)15/h1-11H,(H,21,22)
InChIKeyBZLWXPPAKDCLIM-UHFFFAOYSA-N
XLogP5.11
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.22
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6-bromo-2-oxo-1H-quinolin-4-yl)acetic acid
CID 83665751
6-bromo-4-(3-ethenylphenyl)-1H-quinolin-2-one
CID 168914692
9H-carbazole;3,6-dibromo-9H-carbazole
CID 159453130
8-bromo-3-naphthalen-1-ylfluoranthene
CID 139499164
methyl 2-(6-bromo-2-oxo-1H-quinolin-4-yl)acetate
CID 165461365
6-bromo-4-(3-prop-2-enoylphenyl)-1H-quinolin-2-one
CID 168914775
1-(2,5-dibromo-4-naphthalen-1-ylphenyl)naphthalene
CID 18454866
10-bromo-1,8-dinaphthalen-1-ylanthracene
CID 142748884
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
CID 175282704
CID 175282704
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-naphthalen-1-yl-1H-quinolin-2-one?
The IUPAC name of 6-bromo-4-naphthalen-1-yl-1H-quinolin-2-one (CID 25258121) is 6-bromo-4-naphthalen-1-yl-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-4-naphthalen-1-yl-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-4-naphthalen-1-yl-1H-quinolin-2-one is O=c1cc(-c2cccc3ccccc23)c2cc(Br)ccc2[nH]1.
What is the InChIKey of 6-bromo-4-naphthalen-1-yl-1H-quinolin-2-one?
The InChIKey is BZLWXPPAKDCLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrNO/c20-13-8-9-18-17(10-13)16(11-19(22)21-18)15-7-3-5-12-4-1-2-6-14(12)15/h1-11H,(H,21,22).
What are the key properties of 6-bromo-4-naphthalen-1-yl-1H-quinolin-2-one?
6-bromo-4-naphthalen-1-yl-1H-quinolin-2-one has a molecular weight of 350.22 g/mol, XLogP of 5.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-naphthalen-1-yl-1H-quinolin-2-one is sourced from PubChem (CID 25258121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).