4-(3-ethylpiperidin-1-yl)-2-phenylquinoline

C22H24N2 — CID 90687074

IUPAC4-(3-ethylpiperidin-1-yl)-2-phenylquinoline
SMILESCCC1CCCN(c2cc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C22H24N2/c1-2-17-9-8-14-24(16-17)22-15-21(18-10-4-3-5-11-18)23-20-13-7-6-12-19(20)22/h3-7,10-13,15,17H,2,8-9,14,16H2,1H3
InChIKeyDKWAHLPEKSTIMN-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.53
Rot. Bonds3

About 4-(3-ethylpiperidin-1-yl)-2-phenylquinoline

4-(3-ethylpiperidin-1-yl)-2-phenylquinoline (PubChem CID 90687074) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-(3-ethylpiperidin-1-yl)-2-phenylquinoline.

Molecular Properties

Compound Name4-(3-ethylpiperidin-1-yl)-2-phenylquinoline
PubChem CID90687074
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name4-(3-ethylpiperidin-1-yl)-2-phenylquinoline
SMILESCCC1CCCN(c2cc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C22H24N2/c1-2-17-9-8-14-24(16-17)22-15-21(18-10-4-3-5-11-18)23-20-13-7-6-12-19(20)22/h3-7,10-13,15,17H,2,8-9,14,16H2,1H3
InChIKeyDKWAHLPEKSTIMN-UHFFFAOYSA-N
XLogP5.53
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3-ethylpiperidin-1-yl)-2-phenylquinoline 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 4-(3-ethylpiperidin-1-yl)-2-phenylquinoline?
The IUPAC name of 4-(3-ethylpiperidin-1-yl)-2-phenylquinoline (CID 90687074) is 4-(3-ethylpiperidin-1-yl)-2-phenylquinoline.
What is the SMILES notation for 4-(3-ethylpiperidin-1-yl)-2-phenylquinoline?
The canonical SMILES for 4-(3-ethylpiperidin-1-yl)-2-phenylquinoline is CCC1CCCN(c2cc(-c3ccccc3)nc3ccccc23)C1.
What is the InChIKey of 4-(3-ethylpiperidin-1-yl)-2-phenylquinoline?
The InChIKey is DKWAHLPEKSTIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-2-17-9-8-14-24(16-17)22-15-21(18-10-4-3-5-11-18)23-20-13-7-6-12-19(20)22/h3-7,10-13,15,17H,2,8-9,14,16H2,1H3.
What are the key properties of 4-(3-ethylpiperidin-1-yl)-2-phenylquinoline?
4-(3-ethylpiperidin-1-yl)-2-phenylquinoline has a molecular weight of 316.45 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpiperidin-1-yl)-2-phenylquinoline is sourced from PubChem (CID 90687074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).