2-(3-bromophenyl)-N,N-bis(prop-2-enyl)quinoline-4-carboxamide

C22H19BrN2O — CID 3423511

IUPAC2-(3-bromophenyl)-N,N-bis(prop-2-enyl)quinoline-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C22H19BrN2O/c1-3-12-25(13-4-2)22(26)19-15-21(16-8-7-9-17(23)14-16)24-20-11-6-5-10-18(19)20/h3-11,14-15H,1-2,12-13H2
InChIKeyCHZQZRBVWZSWHZ-UHFFFAOYSA-N
MW407.31 g/mol
LogP5.48
Rot. Bonds6

About 2-(3-bromophenyl)-N,N-bis(prop-2-enyl)quinoline-4-carboxamide

2-(3-bromophenyl)-N,N-bis(prop-2-enyl)quinoline-4-carboxamide (PubChem CID 3423511) has the molecular formula C22H19BrN2O and a molecular weight of 407.31 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N,N-bis(prop-2-enyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N,N-bis(prop-2-enyl)quinoline-4-carboxamide
PubChem CID3423511
Molecular FormulaC22H19BrN2O
Molecular Weight407.31 g/mol
Exact Mass406.07
IUPAC Name2-(3-bromophenyl)-N,N-bis(prop-2-enyl)quinoline-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C22H19BrN2O/c1-3-12-25(13-4-2)22(26)19-15-21(16-8-7-9-17(23)14-16)24-20-11-6-5-10-18(19)20/h3-11,14-15H,1-2,12-13H2
InChIKeyCHZQZRBVWZSWHZ-UHFFFAOYSA-N
XLogP5.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.31
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)quinoline-4-carboxamide
CID 3494981
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-[2-(dimethylamino)ethyl]quinoline-4-carboxamide
CID 2367409
2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide
CID 95756265
[2-(ethylamino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate
CID 2129067
2-(3-bromophenyl)-N-decylquinoline-4-carboxamide
CID 5227536
2-(3-bromophenyl)-N-(2,3,4,5,6-pentafluorophenyl)quinoline-4-carboxamide
CID 3535880
2-(3-bromophenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 26890699
2-(3-bromophenyl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide
CID 4278826
2-phenylquinoline-4-carboxylic acid;prop-1-ene
CID 143187114
2-(3-bromophenyl)-7-chloroquinoline-4-carboxylic acid
CID 63462811

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N,N-bis(prop-2-enyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3-bromophenyl)-N,N-bis(prop-2-enyl)quinoline-4-carboxamide (CID 3423511) is 2-(3-bromophenyl)-N,N-bis(prop-2-enyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-bromophenyl)-N,N-bis(prop-2-enyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3-bromophenyl)-N,N-bis(prop-2-enyl)quinoline-4-carboxamide is C=CCN(CC=C)C(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12.
What is the InChIKey of 2-(3-bromophenyl)-N,N-bis(prop-2-enyl)quinoline-4-carboxamide?
The InChIKey is CHZQZRBVWZSWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O/c1-3-12-25(13-4-2)22(26)19-15-21(16-8-7-9-17(23)14-16)24-20-11-6-5-10-18(19)20/h3-11,14-15H,1-2,12-13H2.
What are the key properties of 2-(3-bromophenyl)-N,N-bis(prop-2-enyl)quinoline-4-carboxamide?
2-(3-bromophenyl)-N,N-bis(prop-2-enyl)quinoline-4-carboxamide has a molecular weight of 407.31 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N,N-bis(prop-2-enyl)quinoline-4-carboxamide is sourced from PubChem (CID 3423511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).