N-(4-bromo-2-fluorophenyl)-N-methylquinoline-2-carboxamide

C17H12BrFN2O — CID 95164015

IUPACN-(4-bromo-2-fluorophenyl)-N-methylquinoline-2-carboxamide
SMILESCN(C(=O)c1ccc2ccccc2n1)c1ccc(Br)cc1F
InChIInChI=1S/C17H12BrFN2O/c1-21(16-9-7-12(18)10-13(16)19)17(22)15-8-6-11-4-2-3-5-14(11)20-15/h2-10H,1H3
InChIKeyOTPQLUQIZWNBLB-UHFFFAOYSA-N
MW359.20 g/mol
LogP4.41
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-N-methylquinoline-2-carboxamide

N-(4-bromo-2-fluorophenyl)-N-methylquinoline-2-carboxamide (PubChem CID 95164015) has the molecular formula C17H12BrFN2O and a molecular weight of 359.20 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-N-methylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-N-methylquinoline-2-carboxamide
PubChem CID95164015
Molecular FormulaC17H12BrFN2O
Molecular Weight359.20 g/mol
Exact Mass358.01
IUPAC NameN-(4-bromo-2-fluorophenyl)-N-methylquinoline-2-carboxamide
SMILESCN(C(=O)c1ccc2ccccc2n1)c1ccc(Br)cc1F
InChIInChI=1S/C17H12BrFN2O/c1-21(16-9-7-12(18)10-13(16)19)17(22)15-8-6-11-4-2-3-5-14(11)20-15/h2-10H,1H3
InChIKeyOTPQLUQIZWNBLB-UHFFFAOYSA-N
XLogP4.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 86886615
N'-(4-bromo-2-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35065853
N-[(2-fluorophenyl)methyl]-N-methylquinoline-2-carboxamide
CID 9409269
N-(4-bromo-2-fluorophenyl)-N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 97157338
6-fluoro-N-methyl-N-phenylquinoline-2-carboxamide
CID 110464478
N-ethyl-N-methylquinoline-2-carboxamide
CID 19793658
N-(2-bromopropyl)-N-methylquinoline-2-carboxamide
CID 80665612
N-(3-hydroxypropyl)-N-methylquinoline-2-carboxamide
CID 114230507
(6-bromo-2-pyridinyl)-quinolin-2-ylmethanone
CID 44606028
N-(4-bromophenyl)quinoline-2-carboxamide
CID 5112006
N-(2-fluorophenyl)-N-methyl-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498329
N-(4-bromo-3-fluorophenyl)quinoline-2-carboxamide
CID 65435460

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-N-methylquinoline-2-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-N-methylquinoline-2-carboxamide (CID 95164015) is N-(4-bromo-2-fluorophenyl)-N-methylquinoline-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-N-methylquinoline-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-N-methylquinoline-2-carboxamide is CN(C(=O)c1ccc2ccccc2n1)c1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-N-methylquinoline-2-carboxamide?
The InChIKey is OTPQLUQIZWNBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN2O/c1-21(16-9-7-12(18)10-13(16)19)17(22)15-8-6-11-4-2-3-5-14(11)20-15/h2-10H,1H3.
What are the key properties of N-(4-bromo-2-fluorophenyl)-N-methylquinoline-2-carboxamide?
N-(4-bromo-2-fluorophenyl)-N-methylquinoline-2-carboxamide has a molecular weight of 359.20 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-N-methylquinoline-2-carboxamide is sourced from PubChem (CID 95164015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).