1-acetyl-4-[4-(3-fluoro-4-pyridinyl)phenyl]-4-methyl-2,3-dihydroquinoline-2-carboxamide

C24H22FN3O2 — CID 173107761

IUPAC1-acetyl-4-[4-(3-fluoro-4-pyridinyl)phenyl]-4-methyl-2,3-dihydroquinoline-2-carboxamide
SMILESCC(=O)N1c2ccccc2C(C)(c2ccc(-c3ccncc3F)cc2)CC1C(N)=O
InChIInChI=1S/C24H22FN3O2/c1-15(29)28-21-6-4-3-5-19(21)24(2,13-22(28)23(26)30)17-9-7-16(8-10-17)18-11-12-27-14-20(18)25/h3-12,14,22H,13H2,1-2H3,(H2,26,30)
InChIKeyLVFDMBIGDXBKCD-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.80
Rot. Bonds3

About 1-acetyl-4-[4-(3-fluoro-4-pyridinyl)phenyl]-4-methyl-2,3-dihydroquinoline-2-carboxamide

1-acetyl-4-[4-(3-fluoro-4-pyridinyl)phenyl]-4-methyl-2,3-dihydroquinoline-2-carboxamide (PubChem CID 173107761) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 1-acetyl-4-[4-(3-fluoro-4-pyridinyl)phenyl]-4-methyl-2,3-dihydroquinoline-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-4-[4-(3-fluoro-4-pyridinyl)phenyl]-4-methyl-2,3-dihydroquinoline-2-carboxamide
PubChem CID173107761
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name1-acetyl-4-[4-(3-fluoro-4-pyridinyl)phenyl]-4-methyl-2,3-dihydroquinoline-2-carboxamide
SMILESCC(=O)N1c2ccccc2C(C)(c2ccc(-c3ccncc3F)cc2)CC1C(N)=O
InChIInChI=1S/C24H22FN3O2/c1-15(29)28-21-6-4-3-5-19(21)24(2,13-22(28)23(26)30)17-9-7-16(8-10-17)18-11-12-27-14-20(18)25/h3-12,14,22H,13H2,1-2H3,(H2,26,30)
InChIKeyLVFDMBIGDXBKCD-UHFFFAOYSA-N
XLogP3.80
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-acetyl-4-[4-(3-fluoro-4-pyridinyl)phenyl]-4-methyl-2,3-dihydroquinoline-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-[4-(3-fluoro-4-pyridinyl)phenyl]-4-methyl-2,3-dihydroquinoline-2-carboxamide?
The IUPAC name of 1-acetyl-4-[4-(3-fluoro-4-pyridinyl)phenyl]-4-methyl-2,3-dihydroquinoline-2-carboxamide (CID 173107761) is 1-acetyl-4-[4-(3-fluoro-4-pyridinyl)phenyl]-4-methyl-2,3-dihydroquinoline-2-carboxamide.
What is the SMILES notation for 1-acetyl-4-[4-(3-fluoro-4-pyridinyl)phenyl]-4-methyl-2,3-dihydroquinoline-2-carboxamide?
The canonical SMILES for 1-acetyl-4-[4-(3-fluoro-4-pyridinyl)phenyl]-4-methyl-2,3-dihydroquinoline-2-carboxamide is CC(=O)N1c2ccccc2C(C)(c2ccc(-c3ccncc3F)cc2)CC1C(N)=O.
What is the InChIKey of 1-acetyl-4-[4-(3-fluoro-4-pyridinyl)phenyl]-4-methyl-2,3-dihydroquinoline-2-carboxamide?
The InChIKey is LVFDMBIGDXBKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-15(29)28-21-6-4-3-5-19(21)24(2,13-22(28)23(26)30)17-9-7-16(8-10-17)18-11-12-27-14-20(18)25/h3-12,14,22H,13H2,1-2H3,(H2,26,30).
What are the key properties of 1-acetyl-4-[4-(3-fluoro-4-pyridinyl)phenyl]-4-methyl-2,3-dihydroquinoline-2-carboxamide?
1-acetyl-4-[4-(3-fluoro-4-pyridinyl)phenyl]-4-methyl-2,3-dihydroquinoline-2-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-[4-(3-fluoro-4-pyridinyl)phenyl]-4-methyl-2,3-dihydroquinoline-2-carboxamide is sourced from PubChem (CID 173107761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).