6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxamide

C22H15BrN2O — CID 91689291

IUPAC6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)nc2ccc(Br)cc12
InChIInChI=1S/C22H15BrN2O/c23-14-7-9-19-17(10-14)18(22(24)26)11-20(25-19)15-8-6-13-5-4-12-2-1-3-16(15)21(12)13/h1-3,6-11H,4-5H2,(H2,24,26)
InChIKeyHWVOHLGEHIIORG-UHFFFAOYSA-N
MW403.28 g/mol
LogP5.01
Rot. Bonds2

About 6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxamide

6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxamide (PubChem CID 91689291) has the molecular formula C22H15BrN2O and a molecular weight of 403.28 g/mol. Its IUPAC name is 6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxamide
PubChem CID91689291
Molecular FormulaC22H15BrN2O
Molecular Weight403.28 g/mol
Exact Mass402.04
IUPAC Name6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)nc2ccc(Br)cc12
InChIInChI=1S/C22H15BrN2O/c23-14-7-9-19-17(10-14)18(22(24)26)11-20(25-19)15-8-6-13-5-4-12-2-1-3-16(15)21(12)13/h1-3,6-11H,4-5H2,(H2,24,26)
InChIKeyHWVOHLGEHIIORG-UHFFFAOYSA-N
XLogP5.01
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.28
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxylate
CID 1223590
6-bromo-2-naphthalen-1-ylquinoline-4-carboxamide
CID 91689273
2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 59930142
6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid
CID 994225
6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 3972726
6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 3972728
6-bromo-2-(2,3-dihydro-1,4-benzodioxin-5-yl)quinoline-4-carboxylic acid
CID 3674997
6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride
CID 46779275
N-[(Z)-(4-bromophenyl)methylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide
CID 6079590
6-bromo-2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 4747845
6-bromo-2-phenylquinoline-4-carboxylate
CID 6974957
7-bromophenazine-1-carboxamide
CID 118197031

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxamide?
The IUPAC name of 6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxamide (CID 91689291) is 6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxamide is NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxamide?
The InChIKey is HWVOHLGEHIIORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN2O/c23-14-7-9-19-17(10-14)18(22(24)26)11-20(25-19)15-8-6-13-5-4-12-2-1-3-16(15)21(12)13/h1-3,6-11H,4-5H2,(H2,24,26).
What are the key properties of 6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxamide?
6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxamide has a molecular weight of 403.28 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxamide is sourced from PubChem (CID 91689291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).