N-[(2-chloro-6-fluorophenyl)methyl]-N-methylquinoline-2-carboxamide

C18H14ClFN2O — CID 2460870

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methylquinoline-2-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C18H14ClFN2O/c1-22(11-13-14(19)6-4-7-15(13)20)18(23)17-10-9-12-5-2-3-8-16(12)21-17/h2-10H,11H2,1H3
InChIKeyLMHXXQZZUAIQFP-UHFFFAOYSA-N
MW328.77 g/mol
LogP4.30
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methylquinoline-2-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methylquinoline-2-carboxamide (PubChem CID 2460870) has the molecular formula C18H14ClFN2O and a molecular weight of 328.77 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methylquinoline-2-carboxamide
PubChem CID2460870
Molecular FormulaC18H14ClFN2O
Molecular Weight328.77 g/mol
Exact Mass328.08
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methylquinoline-2-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C18H14ClFN2O/c1-22(11-13-14(19)6-4-7-15(13)20)18(23)17-10-9-12-5-2-3-8-16(12)21-17/h2-10H,11H2,1H3
InChIKeyLMHXXQZZUAIQFP-UHFFFAOYSA-N
XLogP4.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 54.30
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-methylquinoline-2-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylquinoline-2-carboxamide (CID 2460870) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methylquinoline-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methylquinoline-2-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methylquinoline-2-carboxamide is CN(Cc1c(F)cccc1Cl)C(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylquinoline-2-carboxamide?
The InChIKey is LMHXXQZZUAIQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O/c1-22(11-13-14(19)6-4-7-15(13)20)18(23)17-10-9-12-5-2-3-8-16(12)21-17/h2-10H,11H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylquinoline-2-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylquinoline-2-carboxamide has a molecular weight of 328.77 g/mol, XLogP of 4.30, 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-methylquinoline-2-carboxamide is sourced from PubChem (CID 2460870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).