8-bromo-N-[(2-phenylquinolin-4-yl)methyl]-N-propylnaphthalene-1-carboxamide

C30H25BrN2O — CID 10311421

IUPAC8-bromo-N-[(2-phenylquinolin-4-yl)methyl]-N-propylnaphthalene-1-carboxamide
SMILESCCCN(Cc1cc(-c2ccccc2)nc2ccccc12)C(=O)c1cccc2cccc(Br)c12
InChIInChI=1S/C30H25BrN2O/c1-2-18-33(30(34)25-15-8-12-22-13-9-16-26(31)29(22)25)20-23-19-28(21-10-4-3-5-11-21)32-27-17-7-6-14-24(23)27/h3-17,19H,2,18,20H2,1H3
InChIKeyPMQFVJFRJWVFTH-UHFFFAOYSA-N
MW509.45 g/mol
LogP7.87
Rot. Bonds6

About 8-bromo-N-[(2-phenylquinolin-4-yl)methyl]-N-propylnaphthalene-1-carboxamide

8-bromo-N-[(2-phenylquinolin-4-yl)methyl]-N-propylnaphthalene-1-carboxamide (PubChem CID 10311421) has the molecular formula C30H25BrN2O and a molecular weight of 509.45 g/mol. Its IUPAC name is 8-bromo-N-[(2-phenylquinolin-4-yl)methyl]-N-propylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name8-bromo-N-[(2-phenylquinolin-4-yl)methyl]-N-propylnaphthalene-1-carboxamide
PubChem CID10311421
Molecular FormulaC30H25BrN2O
Molecular Weight509.45 g/mol
Exact Mass508.12
IUPAC Name8-bromo-N-[(2-phenylquinolin-4-yl)methyl]-N-propylnaphthalene-1-carboxamide
SMILESCCCN(Cc1cc(-c2ccccc2)nc2ccccc12)C(=O)c1cccc2cccc(Br)c12
InChIInChI=1S/C30H25BrN2O/c1-2-18-33(30(34)25-15-8-12-22-13-9-16-26(31)29(22)25)20-23-19-28(21-10-4-3-5-11-21)32-27-17-7-6-14-24(23)27/h3-17,19H,2,18,20H2,1H3
InChIKeyPMQFVJFRJWVFTH-UHFFFAOYSA-N
XLogP7.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.45
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-bromo-N-[(2-phenylquinolin-4-yl)methyl]-N-propylnaphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromophenyl)-N-[(2-phenylquinolin-4-yl)methyl]-N-propylacetamide
CID 10310871
2-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
CID 55661695
1-(2-methylphenyl)-2-(2-phenylquinolin-4-yl)ethanone
CID 135034333
N,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4091106
8-(dipropylcarbamoyl)naphthalene-1-carboxylic acid
CID 16774584
N-butyl-N-methyl-2-phenylquinoline-4-carboxamide
CID 27702629
2-chloro-N,N-dipropylquinoline-4-carboxamide
CID 11426314
N,N-dipropylacridine-9-carboxamide
CID 170440983
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide
CID 42732056
2-[(2-bromobenzoyl)-propylamino]acetic acid
CID 61011660
2-phenyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide
CID 119826187
2-(3-bromophenyl)-N,N-bis(prop-2-enyl)quinoline-4-carboxamide
CID 3423511

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[(2-phenylquinolin-4-yl)methyl]-N-propylnaphthalene-1-carboxamide?
The IUPAC name of 8-bromo-N-[(2-phenylquinolin-4-yl)methyl]-N-propylnaphthalene-1-carboxamide (CID 10311421) is 8-bromo-N-[(2-phenylquinolin-4-yl)methyl]-N-propylnaphthalene-1-carboxamide.
What is the SMILES notation for 8-bromo-N-[(2-phenylquinolin-4-yl)methyl]-N-propylnaphthalene-1-carboxamide?
The canonical SMILES for 8-bromo-N-[(2-phenylquinolin-4-yl)methyl]-N-propylnaphthalene-1-carboxamide is CCCN(Cc1cc(-c2ccccc2)nc2ccccc12)C(=O)c1cccc2cccc(Br)c12.
What is the InChIKey of 8-bromo-N-[(2-phenylquinolin-4-yl)methyl]-N-propylnaphthalene-1-carboxamide?
The InChIKey is PMQFVJFRJWVFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25BrN2O/c1-2-18-33(30(34)25-15-8-12-22-13-9-16-26(31)29(22)25)20-23-19-28(21-10-4-3-5-11-21)32-27-17-7-6-14-24(23)27/h3-17,19H,2,18,20H2,1H3.
What are the key properties of 8-bromo-N-[(2-phenylquinolin-4-yl)methyl]-N-propylnaphthalene-1-carboxamide?
8-bromo-N-[(2-phenylquinolin-4-yl)methyl]-N-propylnaphthalene-1-carboxamide has a molecular weight of 509.45 g/mol, XLogP of 7.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-[(2-phenylquinolin-4-yl)methyl]-N-propylnaphthalene-1-carboxamide is sourced from PubChem (CID 10311421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).