3-[(4-bromophenyl)methyl-methylamino]-N-quinolin-8-ylnaphthalene-2-carboxamide

C28H22BrN3O — CID 134948923

IUPAC3-[(4-bromophenyl)methyl-methylamino]-N-quinolin-8-ylnaphthalene-2-carboxamide
SMILESCN(Cc1ccc(Br)cc1)c1cc2ccccc2cc1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C28H22BrN3O/c1-32(18-19-11-13-23(29)14-12-19)26-17-22-7-3-2-6-21(22)16-24(26)28(33)31-25-10-4-8-20-9-5-15-30-27(20)25/h2-17H,18H2,1H3,(H,31,33)
InChIKeyQWCYBGJBFDGZKW-UHFFFAOYSA-N
MW496.41 g/mol
LogP7.04
Rot. Bonds5

About 3-[(4-bromophenyl)methyl-methylamino]-N-quinolin-8-ylnaphthalene-2-carboxamide

3-[(4-bromophenyl)methyl-methylamino]-N-quinolin-8-ylnaphthalene-2-carboxamide (PubChem CID 134948923) has the molecular formula C28H22BrN3O and a molecular weight of 496.41 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl-methylamino]-N-quinolin-8-ylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl-methylamino]-N-quinolin-8-ylnaphthalene-2-carboxamide
PubChem CID134948923
Molecular FormulaC28H22BrN3O
Molecular Weight496.41 g/mol
Exact Mass495.09
IUPAC Name3-[(4-bromophenyl)methyl-methylamino]-N-quinolin-8-ylnaphthalene-2-carboxamide
SMILESCN(Cc1ccc(Br)cc1)c1cc2ccccc2cc1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C28H22BrN3O/c1-32(18-19-11-13-23(29)14-12-19)26-17-22-7-3-2-6-21(22)16-24(26)28(33)31-25-10-4-8-20-9-5-15-30-27(20)25/h2-17H,18H2,1H3,(H,31,33)
InChIKeyQWCYBGJBFDGZKW-UHFFFAOYSA-N
XLogP7.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.41
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(8-Methyl-4-Oxo-3,4-Dihydroquinazolin-2-Yl)propanamido]-N-(Quinolin-8-Yl)benzamide
CID 135567126
Pyrido[4,3-a]phenazine-11-carboxamide, N-[2-(dimethylamino)ethyl]-
CID 10154612
3-Methyl-~{n}-[2-(4-Methylpiperazin-1-Yl)-5-Quinolin-3-Yl-Phenyl]benzamide
CID 91995965
3,4-dimethyl-N-(8-quinolinyl)benzamide
CID 835411
3-bromo-4-methyl-N-quinolin-8-ylbenzamide
CID 902789
6-bromo-2-(4-methylphenyl)-N-(pyridin-3-yl)quinoline-4-carboxamide
CID 2220526
N-(quinolin-8-yl)naphthalene-1-carboxamide
CID 790196
2-(4-bromonaphthalen-1-yl)-N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide
CID 9913414
4-Methyl-benzo[a]phenazine-11-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 10109054
4-Bromo-benzo[a]phenazine-11-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 10202502
4-phenyl-3-(piperidin-1-ylmethyl)-N-quinolin-3-ylbenzamide;dihydrochloride
CID 145960890
2-bromo-N-quinolin-8-ylbenzamide
CID 749479

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl-methylamino]-N-quinolin-8-ylnaphthalene-2-carboxamide?
The IUPAC name of 3-[(4-bromophenyl)methyl-methylamino]-N-quinolin-8-ylnaphthalene-2-carboxamide (CID 134948923) is 3-[(4-bromophenyl)methyl-methylamino]-N-quinolin-8-ylnaphthalene-2-carboxamide.
What is the SMILES notation for 3-[(4-bromophenyl)methyl-methylamino]-N-quinolin-8-ylnaphthalene-2-carboxamide?
The canonical SMILES for 3-[(4-bromophenyl)methyl-methylamino]-N-quinolin-8-ylnaphthalene-2-carboxamide is CN(Cc1ccc(Br)cc1)c1cc2ccccc2cc1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 3-[(4-bromophenyl)methyl-methylamino]-N-quinolin-8-ylnaphthalene-2-carboxamide?
The InChIKey is QWCYBGJBFDGZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22BrN3O/c1-32(18-19-11-13-23(29)14-12-19)26-17-22-7-3-2-6-21(22)16-24(26)28(33)31-25-10-4-8-20-9-5-15-30-27(20)25/h2-17H,18H2,1H3,(H,31,33).
What are the key properties of 3-[(4-bromophenyl)methyl-methylamino]-N-quinolin-8-ylnaphthalene-2-carboxamide?
3-[(4-bromophenyl)methyl-methylamino]-N-quinolin-8-ylnaphthalene-2-carboxamide has a molecular weight of 496.41 g/mol, XLogP of 7.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl-methylamino]-N-quinolin-8-ylnaphthalene-2-carboxamide is sourced from PubChem (CID 134948923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).