2-(3-bromophenyl)-N-decylquinoline-4-carboxamide

C26H31BrN2O — CID 5227536

IUPAC2-(3-bromophenyl)-N-decylquinoline-4-carboxamide
SMILESCCCCCCCCCCNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C26H31BrN2O/c1-2-3-4-5-6-7-8-11-17-28-26(30)23-19-25(20-13-12-14-21(27)18-20)29-24-16-10-9-15-22(23)24/h9-10,12-16,18-19H,2-8,11,17H2,1H3,(H,28,30)
InChIKeyWBJUEOYCCGOVBG-UHFFFAOYSA-N
MW467.45 g/mol
LogP7.53
Rot. Bonds11

About 2-(3-bromophenyl)-N-decylquinoline-4-carboxamide

2-(3-bromophenyl)-N-decylquinoline-4-carboxamide (PubChem CID 5227536) has the molecular formula C26H31BrN2O and a molecular weight of 467.45 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-decylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-decylquinoline-4-carboxamide
PubChem CID5227536
Molecular FormulaC26H31BrN2O
Molecular Weight467.45 g/mol
Exact Mass466.16
IUPAC Name2-(3-bromophenyl)-N-decylquinoline-4-carboxamide
SMILESCCCCCCCCCCNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C26H31BrN2O/c1-2-3-4-5-6-7-8-11-17-28-26(30)23-19-25(20-13-12-14-21(27)18-20)29-24-16-10-9-15-22(23)24/h9-10,12-16,18-19H,2-8,11,17H2,1H3,(H,28,30)
InChIKeyWBJUEOYCCGOVBG-UHFFFAOYSA-N
XLogP7.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.45
LogP ≤ 57.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenyl)-N-[8-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 4132785
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4603852
N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4540547
2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468
2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
CID 4535019
2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide
CID 2367409
2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide
CID 3664969
2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
CID 4162028
2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide
CID 95756265
N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 4192336
2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide
CID 4613424

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-decylquinoline-4-carboxamide?
The IUPAC name of 2-(3-bromophenyl)-N-decylquinoline-4-carboxamide (CID 5227536) is 2-(3-bromophenyl)-N-decylquinoline-4-carboxamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-decylquinoline-4-carboxamide?
The canonical SMILES for 2-(3-bromophenyl)-N-decylquinoline-4-carboxamide is CCCCCCCCCCNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12.
What is the InChIKey of 2-(3-bromophenyl)-N-decylquinoline-4-carboxamide?
The InChIKey is WBJUEOYCCGOVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31BrN2O/c1-2-3-4-5-6-7-8-11-17-28-26(30)23-19-25(20-13-12-14-21(27)18-20)29-24-16-10-9-15-22(23)24/h9-10,12-16,18-19H,2-8,11,17H2,1H3,(H,28,30).
What are the key properties of 2-(3-bromophenyl)-N-decylquinoline-4-carboxamide?
2-(3-bromophenyl)-N-decylquinoline-4-carboxamide has a molecular weight of 467.45 g/mol, XLogP of 7.53, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-decylquinoline-4-carboxamide is sourced from PubChem (CID 5227536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).