6-bromo-2-naphthalen-1-ylquinoline-4-carboxamide

C20H13BrN2O — CID 91689273

IUPAC6-bromo-2-naphthalen-1-ylquinoline-4-carboxamide
SMILESNC(=O)c1cc(-c2cccc3ccccc23)nc2ccc(Br)cc12
InChIInChI=1S/C20H13BrN2O/c21-13-8-9-18-16(10-13)17(20(22)24)11-19(23-18)15-7-3-5-12-4-1-2-6-14(12)15/h1-11H,(H2,22,24)
InChIKeyJZOAJKPAGWOWEB-UHFFFAOYSA-N
MW377.24 g/mol
LogP4.92
Rot. Bonds2

About 6-bromo-2-naphthalen-1-ylquinoline-4-carboxamide

6-bromo-2-naphthalen-1-ylquinoline-4-carboxamide (PubChem CID 91689273) has the molecular formula C20H13BrN2O and a molecular weight of 377.24 g/mol. Its IUPAC name is 6-bromo-2-naphthalen-1-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-2-naphthalen-1-ylquinoline-4-carboxamide
PubChem CID91689273
Molecular FormulaC20H13BrN2O
Molecular Weight377.24 g/mol
Exact Mass376.02
IUPAC Name6-bromo-2-naphthalen-1-ylquinoline-4-carboxamide
SMILESNC(=O)c1cc(-c2cccc3ccccc23)nc2ccc(Br)cc12
InChIInChI=1S/C20H13BrN2O/c21-13-8-9-18-16(10-13)17(20(22)24)11-19(23-18)15-7-3-5-12-4-1-2-6-14(12)15/h1-11H,(H2,22,24)
InChIKeyJZOAJKPAGWOWEB-UHFFFAOYSA-N
XLogP4.92
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxamide
CID 91689291
6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid
CID 994225
2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 59930142
6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride
CID 46779275
6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 3972726
1-(2-naphthalen-1-ylquinolin-4-yl)ethanone
CID 140742402
2-naphthalen-1-ylquinoline-4-carbonyl chloride
CID 91689267
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 3873039
6-bromo-2-(1,2-dihydroacenaphthylen-5-yl)quinoline-4-carboxylate
CID 1223590
[2-(benzylamino)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 2335666
6-bromo-2-phenylquinoline-4-carboxylate
CID 6974957
6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 3972728

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-naphthalen-1-ylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-2-naphthalen-1-ylquinoline-4-carboxamide (CID 91689273) is 6-bromo-2-naphthalen-1-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-2-naphthalen-1-ylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-2-naphthalen-1-ylquinoline-4-carboxamide is NC(=O)c1cc(-c2cccc3ccccc23)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-naphthalen-1-ylquinoline-4-carboxamide?
The InChIKey is JZOAJKPAGWOWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN2O/c21-13-8-9-18-16(10-13)17(20(22)24)11-19(23-18)15-7-3-5-12-4-1-2-6-14(12)15/h1-11H,(H2,22,24).
What are the key properties of 6-bromo-2-naphthalen-1-ylquinoline-4-carboxamide?
6-bromo-2-naphthalen-1-ylquinoline-4-carboxamide has a molecular weight of 377.24 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-naphthalen-1-ylquinoline-4-carboxamide is sourced from PubChem (CID 91689273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).