N-[(4-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide

C18H19FN2O — CID 24695751

IUPACN-[(4-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCC1CC(C(=O)NCc2ccc(F)cc2)c2ccccc2N1
InChIInChI=1S/C18H19FN2O/c1-12-10-16(15-4-2-3-5-17(15)21-12)18(22)20-11-13-6-8-14(19)9-7-13/h2-9,12,16,21H,10-11H2,1H3,(H,20,22)
InChIKeyXWUFDPBCPAORAA-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.43
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide

N-[(4-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide (PubChem CID 24695751) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
PubChem CID24695751
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCC1CC(C(=O)NCc2ccc(F)cc2)c2ccccc2N1
InChIInChI=1S/C18H19FN2O/c1-12-10-16(15-4-2-3-5-17(15)21-12)18(22)20-11-13-6-8-14(19)9-7-13/h2-9,12,16,21H,10-11H2,1H3,(H,20,22)
InChIKeyXWUFDPBCPAORAA-UHFFFAOYSA-N
XLogP3.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(carbamoylamino)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 83120583
2-methyl-N-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43310647
N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43311061
2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24691290
(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 95566944
2-methyl-N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106329302
N-cyclooctyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43823060
2-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24698002
2-methyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24697418
N-hexan-3-yl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 62117471
N-(1-methoxypropan-2-yl)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24693133
(2S,4S)-2-methyl-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 93290068

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide (CID 24695751) is N-[(4-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide is CC1CC(C(=O)NCc2ccc(F)cc2)c2ccccc2N1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The InChIKey is XWUFDPBCPAORAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-12-10-16(15-4-2-3-5-17(15)21-12)18(22)20-11-13-6-8-14(19)9-7-13/h2-9,12,16,21H,10-11H2,1H3,(H,20,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
N-[(4-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide is sourced from PubChem (CID 24695751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).