[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-quinolin-4-ylmethanone

C21H17FN2O — CID 86911397

IUPAC[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-quinolin-4-ylmethanone
SMILESO=C(c1ccnc2ccccc12)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H17FN2O/c22-17-7-5-15(6-8-17)16-10-13-24(14-11-16)21(25)19-9-12-23-20-4-2-1-3-18(19)20/h1-10,12H,11,13-14H2
InChIKeyAXGRUDPQODHBQB-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.30
Rot. Bonds2

About [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-quinolin-4-ylmethanone

[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-quinolin-4-ylmethanone (PubChem CID 86911397) has the molecular formula C21H17FN2O and a molecular weight of 332.38 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-quinolin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-quinolin-4-ylmethanone
PubChem CID86911397
Molecular FormulaC21H17FN2O
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-quinolin-4-ylmethanone
SMILESO=C(c1ccnc2ccccc12)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H17FN2O/c22-17-7-5-15(6-8-17)16-10-13-24(14-11-16)21(25)19-9-12-23-20-4-2-1-3-18(19)20/h1-10,12H,11,13-14H2
InChIKeyAXGRUDPQODHBQB-UHFFFAOYSA-N
XLogP4.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-quinolin-4-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-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149835
(2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 61292889
[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
CID 110694885
4-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2H-phthalazin-1-one
CID 71943929
1-(6-fluoroquinoline-4-carbonyl)piperidin-4-one
CID 139509915
(5-cyclopropyl-1-phenylpyrazol-4-yl)-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112814345
2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 137289756
4-(6-fluoroquinolin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 155270648
4-(quinoline-4-carbonyl)-1,4-diazepan-2-one
CID 78918249
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 112800819
[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 86948059
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone
CID 25097680

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-quinolin-4-ylmethanone?
The IUPAC name of [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-quinolin-4-ylmethanone (CID 86911397) is [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-quinolin-4-ylmethanone.
What is the SMILES notation for [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-quinolin-4-ylmethanone?
The canonical SMILES for [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-quinolin-4-ylmethanone is O=C(c1ccnc2ccccc12)N1CC=C(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-quinolin-4-ylmethanone?
The InChIKey is AXGRUDPQODHBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O/c22-17-7-5-15(6-8-17)16-10-13-24(14-11-16)21(25)19-9-12-23-20-4-2-1-3-18(19)20/h1-10,12H,11,13-14H2.
What are the key properties of [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-quinolin-4-ylmethanone?
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-quinolin-4-ylmethanone has a molecular weight of 332.38 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-quinolin-4-ylmethanone is sourced from PubChem (CID 86911397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).