2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide

C20H20BrN3O — CID 2367409

IUPAC2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C20H20BrN3O/c1-24(2)11-10-22-20(25)17-13-19(14-6-5-7-15(21)12-14)23-18-9-4-3-8-16(17)18/h3-9,12-13H,10-11H2,1-2H3,(H,22,25)
InChIKeyGRJIXOUCOZIVOK-UHFFFAOYSA-N
MW398.30 g/mol
LogP3.96
Rot. Bonds5

About 2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide

2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide (PubChem CID 2367409) has the molecular formula C20H20BrN3O and a molecular weight of 398.30 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide
PubChem CID2367409
Molecular FormulaC20H20BrN3O
Molecular Weight398.30 g/mol
Exact Mass397.08
IUPAC Name2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C20H20BrN3O/c1-24(2)11-10-22-20(25)17-13-19(14-6-5-7-15(21)12-14)23-18-9-4-3-8-16(17)18/h3-9,12-13H,10-11H2,1-2H3,(H,22,25)
InChIKeyGRJIXOUCOZIVOK-UHFFFAOYSA-N
XLogP3.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4603852
2-(3-bromophenyl)-N-[8-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 4132785
2-(3-bromophenyl)-N-decylquinoline-4-carboxamide
CID 5227536
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1261381
2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide
CID 95756265
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
N-[2-(dimethylamino)ethyl]-2-phenylbenzo[h]quinoline-4-carboxamide
CID 155517784
N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 71572132
2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
CID 4535019
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019
2-(3-bromophenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 26890699

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide (CID 2367409) is 2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide is CN(C)CCNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12.
What is the InChIKey of 2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide?
The InChIKey is GRJIXOUCOZIVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O/c1-24(2)11-10-22-20(25)17-13-19(14-6-5-7-15(21)12-14)23-18-9-4-3-8-16(17)18/h3-9,12-13H,10-11H2,1-2H3,(H,22,25).
What are the key properties of 2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide?
2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide has a molecular weight of 398.30 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 2367409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).