N-[(2-fluorophenyl)methyl]-6-methoxyquinoline-4-carboxamide

C18H15FN2O2 — CID 146075276

IUPACN-[(2-fluorophenyl)methyl]-6-methoxyquinoline-4-carboxamide
SMILESCOc1ccc2nccc(C(=O)NCc3ccccc3F)c2c1
InChIInChI=1S/C18H15FN2O2/c1-23-13-6-7-17-15(10-13)14(8-9-20-17)18(22)21-11-12-4-2-3-5-16(12)19/h2-10H,11H2,1H3,(H,21,22)
InChIKeyAAKHXSKXJSUJKC-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.31
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-6-methoxyquinoline-4-carboxamide

N-[(2-fluorophenyl)methyl]-6-methoxyquinoline-4-carboxamide (PubChem CID 146075276) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-6-methoxyquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-6-methoxyquinoline-4-carboxamide
PubChem CID146075276
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC NameN-[(2-fluorophenyl)methyl]-6-methoxyquinoline-4-carboxamide
SMILESCOc1ccc2nccc(C(=O)NCc3ccccc3F)c2c1
InChIInChI=1S/C18H15FN2O2/c1-23-13-6-7-17-15(10-13)14(8-9-20-17)18(22)21-11-12-4-2-3-5-16(12)19/h2-10H,11H2,1H3,(H,21,22)
InChIKeyAAKHXSKXJSUJKC-UHFFFAOYSA-N
XLogP3.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-hydroxy-5-methoxybenzamide
CID 60630315
N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide
CID 17068329
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
N-[(2-fluorophenyl)methyl]-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109211205
2-(2,4-dimethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170430
methyl 3-(6-methoxyquinolin-4-yl)-3-oxopropanoate
CID 82665606
4-methoxy-N-(quinolin-4-ylmethyl)benzamide
CID 110734220
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
N-[(2-fluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 53166536
sodium;hydride;6-methoxyquinoline-4-carboxylic acid
CID 173088597
N-[(2-fluorophenyl)methyl]-2-quinolin-6-yloxyacetamide
CID 112978602
N-[(2-fluorophenyl)methyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109305399

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-6-methoxyquinoline-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-6-methoxyquinoline-4-carboxamide (CID 146075276) is N-[(2-fluorophenyl)methyl]-6-methoxyquinoline-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-6-methoxyquinoline-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-6-methoxyquinoline-4-carboxamide is COc1ccc2nccc(C(=O)NCc3ccccc3F)c2c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-6-methoxyquinoline-4-carboxamide?
The InChIKey is AAKHXSKXJSUJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-23-13-6-7-17-15(10-13)14(8-9-20-17)18(22)21-11-12-4-2-3-5-16(12)19/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-6-methoxyquinoline-4-carboxamide?
N-[(2-fluorophenyl)methyl]-6-methoxyquinoline-4-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-6-methoxyquinoline-4-carboxamide is sourced from PubChem (CID 146075276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).