[6-fluoro-4-[(4-methylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone

C23H24FN3O — CID 53333974

IUPAC[6-fluoro-4-[(4-methylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1
InChIInChI=1S/C23H24FN3O/c1-16-5-7-17(8-6-16)14-26-22-19-13-18(24)9-10-21(19)25-15-20(22)23(28)27-11-3-2-4-12-27/h5-10,13,15H,2-4,11-12,14H2,1H3,(H,25,26)
InChIKeyUELGKORFXXRWIE-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.92
Rot. Bonds4

About [6-fluoro-4-[(4-methylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone

[6-fluoro-4-[(4-methylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone (PubChem CID 53333974) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is [6-fluoro-4-[(4-methylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-fluoro-4-[(4-methylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone
PubChem CID53333974
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name[6-fluoro-4-[(4-methylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1
InChIInChI=1S/C23H24FN3O/c1-16-5-7-17(8-6-16)14-26-22-19-13-18(24)9-10-21(19)25-15-20(22)23(28)27-11-3-2-4-12-27/h5-10,13,15H,2-4,11-12,14H2,1H3,(H,25,26)
InChIKeyUELGKORFXXRWIE-UHFFFAOYSA-N
XLogP4.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-fluoro-4-[(4-methylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone 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

[4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53333912
[4-(1,3-benzodioxol-5-ylmethylamino)-6-fluoroquinolin-3-yl]-piperidin-1-ylmethanone
CID 53333981
[6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825088
[4-[(3-ethoxy-4-methoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53333929
[4-[(2-ethoxyphenyl)methylamino]-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53333897
[4-[(3-bromophenyl)methylamino]-6-fluoroquinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 71825043
[6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone
CID 53001502
6-fluoro-N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 18590831
ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate
CID 732002
[6-fluoro-4-[1-(4-methoxyphenyl)ethylamino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 53334001
[4-(2-chloro-4-methylanilino)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 53001687
[4-(2,4-dichloroanilino)-6-fluoroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53032705

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-4-[(4-methylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-fluoro-4-[(4-methylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone (CID 53333974) is [6-fluoro-4-[(4-methylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-fluoro-4-[(4-methylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-fluoro-4-[(4-methylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone is Cc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1.
What is the InChIKey of [6-fluoro-4-[(4-methylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is UELGKORFXXRWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-16-5-7-17(8-6-16)14-26-22-19-13-18(24)9-10-21(19)25-15-20(22)23(28)27-11-3-2-4-12-27/h5-10,13,15H,2-4,11-12,14H2,1H3,(H,25,26).
What are the key properties of [6-fluoro-4-[(4-methylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone?
[6-fluoro-4-[(4-methylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 377.46 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-4-[(4-methylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53333974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).