4-(4-bromophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

C17H16BrNO3 — CID 3158482

IUPAC4-(4-bromophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1ccc(Br)cc1)CC(=O)N2
InChIInChI=1S/C17H16BrNO3/c1-21-15-7-13-12(10-3-5-11(18)6-4-10)8-17(20)19-14(13)9-16(15)22-2/h3-7,9,12H,8H2,1-2H3,(H,19,20)
InChIKeyPXAQDHMMTFGHBZ-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.94
Rot. Bonds3

About 4-(4-bromophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

4-(4-bromophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 3158482) has the molecular formula C17H16BrNO3 and a molecular weight of 362.22 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID3158482
Molecular FormulaC17H16BrNO3
Molecular Weight362.22 g/mol
Exact Mass361.03
IUPAC Name4-(4-bromophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1ccc(Br)cc1)CC(=O)N2
InChIInChI=1S/C17H16BrNO3/c1-21-15-7-13-12(10-3-5-11(18)6-4-10)8-17(20)19-14(13)9-16(15)22-2/h3-7,9,12H,8H2,1-2H3,(H,19,20)
InChIKeyPXAQDHMMTFGHBZ-UHFFFAOYSA-N
XLogP3.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(4-bromophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 3158482) is 4-(4-bromophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(4-bromophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(4-bromophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(cc1OC)C(c1ccc(Br)cc1)CC(=O)N2.
What is the InChIKey of 4-(4-bromophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PXAQDHMMTFGHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO3/c1-21-15-7-13-12(10-3-5-11(18)6-4-10)8-17(20)19-14(13)9-16(15)22-2/h3-7,9,12H,8H2,1-2H3,(H,19,20).
What are the key properties of 4-(4-bromophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
4-(4-bromophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 362.22 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 3158482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).