2-(4-bromophenyl)-4aH-quinolin-4-one

C15H10BrNO — CID 74601109

IUPAC2-(4-bromophenyl)-4aH-quinolin-4-one
SMILESO=C1C=C(c2ccc(Br)cc2)N=C2C=CC=CC12
InChIInChI=1S/C15H10BrNO/c16-11-7-5-10(6-8-11)14-9-15(18)12-3-1-2-4-13(12)17-14/h1-9,12H
InChIKeySGOIIQONYKCETI-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.56
Rot. Bonds1

About 2-(4-bromophenyl)-4aH-quinolin-4-one

2-(4-bromophenyl)-4aH-quinolin-4-one (PubChem CID 74601109) has the molecular formula C15H10BrNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4aH-quinolin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-4aH-quinolin-4-one
PubChem CID74601109
Molecular FormulaC15H10BrNO
Molecular Weight300.16 g/mol
Exact Mass298.99
IUPAC Name2-(4-bromophenyl)-4aH-quinolin-4-one
SMILESO=C1C=C(c2ccc(Br)cc2)N=C2C=CC=CC12
InChIInChI=1S/C15H10BrNO/c16-11-7-5-10(6-8-11)14-9-15(18)12-3-1-2-4-13(12)17-14/h1-9,12H
InChIKeySGOIIQONYKCETI-UHFFFAOYSA-N
XLogP3.56
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 141208013
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CID 72824698
CID 72824698
6-bromo-3-(4-bromophenyl)-3H-pyridin-2-one
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(4bS)-4bH-pyrido[2,3-b]indol-2-amine
CID 27866681
4-chloro-8aH-naphthalen-1-one
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1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
(2E)-2-[2-(4-bromophenyl)pyrido[1,2-a]pyrimidin-4-ylidene]acetonitrile
CID 15448784
3-(2-chloroethyl)-4aH-quinazoline-2,4-dione
CID 71650918
methyl 3-(4-oxo-4aH-quinazolin-2-yl)propanoate
CID 78176867
1-(4-oxo-4aH-quinazolin-2-yl)piperidine-4-carboxylic acid
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10aH-heptalen-1-one
CID 91586350

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4aH-quinolin-4-one?
The IUPAC name of 2-(4-bromophenyl)-4aH-quinolin-4-one (CID 74601109) is 2-(4-bromophenyl)-4aH-quinolin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-4aH-quinolin-4-one?
The canonical SMILES for 2-(4-bromophenyl)-4aH-quinolin-4-one is O=C1C=C(c2ccc(Br)cc2)N=C2C=CC=CC12.
What is the InChIKey of 2-(4-bromophenyl)-4aH-quinolin-4-one?
The InChIKey is SGOIIQONYKCETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO/c16-11-7-5-10(6-8-11)14-9-15(18)12-3-1-2-4-13(12)17-14/h1-9,12H.
What are the key properties of 2-(4-bromophenyl)-4aH-quinolin-4-one?
2-(4-bromophenyl)-4aH-quinolin-4-one has a molecular weight of 300.16 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4aH-quinolin-4-one is sourced from PubChem (CID 74601109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).