N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylquinoline-4-carboxamide

C19H16ClFN2O — CID 9119537

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2c(F)cccc2Cl)c2ccccc2n1
InChIInChI=1S/C19H16ClFN2O/c1-12-10-14(13-6-3-4-9-18(13)22-12)19(24)23(2)11-15-16(20)7-5-8-17(15)21/h3-10H,11H2,1-2H3
InChIKeyGRXGCDVORZGUKY-UHFFFAOYSA-N
MW342.80 g/mol
LogP4.61
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylquinoline-4-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylquinoline-4-carboxamide (PubChem CID 9119537) has the molecular formula C19H16ClFN2O and a molecular weight of 342.80 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylquinoline-4-carboxamide
PubChem CID9119537
Molecular FormulaC19H16ClFN2O
Molecular Weight342.80 g/mol
Exact Mass342.09
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2c(F)cccc2Cl)c2ccccc2n1
InChIInChI=1S/C19H16ClFN2O/c1-12-10-14(13-6-3-4-9-18(13)22-12)19(24)23(2)11-15-16(20)7-5-8-17(15)21/h3-10H,11H2,1-2H3
InChIKeyGRXGCDVORZGUKY-UHFFFAOYSA-N
XLogP4.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylquinoline-4-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylquinoline-4-carboxamide (CID 9119537) is N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylquinoline-4-carboxamide is Cc1cc(C(=O)N(C)Cc2c(F)cccc2Cl)c2ccccc2n1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylquinoline-4-carboxamide?
The InChIKey is GRXGCDVORZGUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O/c1-12-10-14(13-6-3-4-9-18(13)22-12)19(24)23(2)11-15-16(20)7-5-8-17(15)21/h3-10H,11H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylquinoline-4-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylquinoline-4-carboxamide has a molecular weight of 342.80 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 9119537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).