2-chloro-N-[4-(dimethylamino)-3,5-difluorophenyl]quinoline-4-carboxamide

C18H14ClF2N3O — CID 55907680

IUPAC2-chloro-N-[4-(dimethylamino)-3,5-difluorophenyl]quinoline-4-carboxamide
SMILESCN(C)c1c(F)cc(NC(=O)c2cc(Cl)nc3ccccc23)cc1F
InChIInChI=1S/C18H14ClF2N3O/c1-24(2)17-13(20)7-10(8-14(17)21)22-18(25)12-9-16(19)23-15-6-4-3-5-11(12)15/h3-9H,1-2H3,(H,22,25)
InChIKeyAFJXHDQEHGXADT-UHFFFAOYSA-N
MW361.78 g/mol
LogP4.48
Rot. Bonds3

About 2-chloro-N-[4-(dimethylamino)-3,5-difluorophenyl]quinoline-4-carboxamide

2-chloro-N-[4-(dimethylamino)-3,5-difluorophenyl]quinoline-4-carboxamide (PubChem CID 55907680) has the molecular formula C18H14ClF2N3O and a molecular weight of 361.78 g/mol. Its IUPAC name is 2-chloro-N-[4-(dimethylamino)-3,5-difluorophenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-(dimethylamino)-3,5-difluorophenyl]quinoline-4-carboxamide
PubChem CID55907680
Molecular FormulaC18H14ClF2N3O
Molecular Weight361.78 g/mol
Exact Mass361.08
IUPAC Name2-chloro-N-[4-(dimethylamino)-3,5-difluorophenyl]quinoline-4-carboxamide
SMILESCN(C)c1c(F)cc(NC(=O)c2cc(Cl)nc3ccccc23)cc1F
InChIInChI=1S/C18H14ClF2N3O/c1-24(2)17-13(20)7-10(8-14(17)21)22-18(25)12-9-16(19)23-15-6-4-3-5-11(12)15/h3-9H,1-2H3,(H,22,25)
InChIKeyAFJXHDQEHGXADT-UHFFFAOYSA-N
XLogP4.48
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.78
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 9011295
2-chloro-N-(3-fluoro-4-pyridinyl)quinoline-4-carboxamide
CID 103874447
2-chloro-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)quinoline-4-carboxamide
CID 55799712
2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)quinoline-4-carboxamide
CID 80709861
N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562695
2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide
CID 4052341
2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)quinoline-4-carboxamide
CID 65486238
2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 43082670
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)quinoline-4-carboxamide
CID 106180063
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(dimethylamino)-3,5-difluorophenyl]quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-[4-(dimethylamino)-3,5-difluorophenyl]quinoline-4-carboxamide (CID 55907680) is 2-chloro-N-[4-(dimethylamino)-3,5-difluorophenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-(dimethylamino)-3,5-difluorophenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-[4-(dimethylamino)-3,5-difluorophenyl]quinoline-4-carboxamide is CN(C)c1c(F)cc(NC(=O)c2cc(Cl)nc3ccccc23)cc1F.
What is the InChIKey of 2-chloro-N-[4-(dimethylamino)-3,5-difluorophenyl]quinoline-4-carboxamide?
The InChIKey is AFJXHDQEHGXADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O/c1-24(2)17-13(20)7-10(8-14(17)21)22-18(25)12-9-16(19)23-15-6-4-3-5-11(12)15/h3-9H,1-2H3,(H,22,25).
What are the key properties of 2-chloro-N-[4-(dimethylamino)-3,5-difluorophenyl]quinoline-4-carboxamide?
2-chloro-N-[4-(dimethylamino)-3,5-difluorophenyl]quinoline-4-carboxamide has a molecular weight of 361.78 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(dimethylamino)-3,5-difluorophenyl]quinoline-4-carboxamide is sourced from PubChem (CID 55907680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).