N-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide

C13H10BrClN2O — CID 113465028

IUPACN-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide
SMILESC=C(Br)CNC(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C13H10BrClN2O/c1-8(14)7-16-13(18)12-6-10(15)9-4-2-3-5-11(9)17-12/h2-6H,1,7H2,(H,16,18)
InChIKeyGPAWWRVOIALEPC-UHFFFAOYSA-N
MW325.59 g/mol
LogP3.53
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide

N-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide (PubChem CID 113465028) has the molecular formula C13H10BrClN2O and a molecular weight of 325.59 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide
PubChem CID113465028
Molecular FormulaC13H10BrClN2O
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC NameN-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide
SMILESC=C(Br)CNC(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C13H10BrClN2O/c1-8(14)7-16-13(18)12-6-10(15)9-4-2-3-5-11(9)17-12/h2-6H,1,7H2,(H,16,18)
InChIKeyGPAWWRVOIALEPC-UHFFFAOYSA-N
XLogP3.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide
CID 63375816
N-(2-acetamidoethyl)-4-chloroquinoline-2-carboxamide
CID 63375771
N-but-2-ynyl-4-chloroquinoline-2-carboxamide
CID 113464582
3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166666
1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449917
4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide
CID 63376122
4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide
CID 63376386
4-chloro-N-(2-sulfamoylethyl)quinoline-2-carboxamide
CID 63375727
4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide
CID 65038366
2-[(4-chloroquinoline-2-carbonyl)amino]oxyacetic acid
CID 63914484
2-[(4-chloroquinoline-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 63376246
4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-2-carboxamide
CID 106396198

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide (CID 113465028) is N-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide is C=C(Br)CNC(=O)c1cc(Cl)c2ccccc2n1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide?
The InChIKey is GPAWWRVOIALEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O/c1-8(14)7-16-13(18)12-6-10(15)9-4-2-3-5-11(9)17-12/h2-6H,1,7H2,(H,16,18).
What are the key properties of N-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide?
N-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide has a molecular weight of 325.59 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide is sourced from PubChem (CID 113465028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).