(2-cyclopropyl-5,7-dimethylquinolin-4-yl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone

C22H28N2O2 — CID 167793016

IUPAC(2-cyclopropyl-5,7-dimethylquinolin-4-yl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone
SMILESCc1cc(C)c2c(C(=O)N3CC[C@H](CO)C[C@@H]3C)cc(C3CC3)nc2c1
InChIInChI=1S/C22H28N2O2/c1-13-8-14(2)21-18(11-19(17-4-5-17)23-20(21)9-13)22(26)24-7-6-16(12-25)10-15(24)3/h8-9,11,15-17,25H,4-7,10,12H2,1-3H3/t15-,16-/m0/s1
InChIKeyBQPIBCPXVLCALX-HOTGVXAUSA-N
MW352.48 g/mol
LogP3.96
Rot. Bonds3

About (2-cyclopropyl-5,7-dimethylquinolin-4-yl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone

(2-cyclopropyl-5,7-dimethylquinolin-4-yl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone (PubChem CID 167793016) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (2-cyclopropyl-5,7-dimethylquinolin-4-yl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropyl-5,7-dimethylquinolin-4-yl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone
PubChem CID167793016
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(2-cyclopropyl-5,7-dimethylquinolin-4-yl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone
SMILESCc1cc(C)c2c(C(=O)N3CC[C@H](CO)C[C@@H]3C)cc(C3CC3)nc2c1
InChIInChI=1S/C22H28N2O2/c1-13-8-14(2)21-18(11-19(17-4-5-17)23-20(21)9-13)22(26)24-7-6-16(12-25)10-15(24)3/h8-9,11,15-17,25H,4-7,10,12H2,1-3H3/t15-,16-/m0/s1
InChIKeyBQPIBCPXVLCALX-HOTGVXAUSA-N
XLogP3.96
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-cyclopropyl-5,7-dimethylquinolin-4-yl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone 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 (2-cyclopropyl-5,7-dimethylquinolin-4-yl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of (2-cyclopropyl-5,7-dimethylquinolin-4-yl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone (CID 167793016) is (2-cyclopropyl-5,7-dimethylquinolin-4-yl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropyl-5,7-dimethylquinolin-4-yl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for (2-cyclopropyl-5,7-dimethylquinolin-4-yl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone is Cc1cc(C)c2c(C(=O)N3CC[C@H](CO)C[C@@H]3C)cc(C3CC3)nc2c1.
What is the InChIKey of (2-cyclopropyl-5,7-dimethylquinolin-4-yl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone?
The InChIKey is BQPIBCPXVLCALX-HOTGVXAUSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-13-8-14(2)21-18(11-19(17-4-5-17)23-20(21)9-13)22(26)24-7-6-16(12-25)10-15(24)3/h8-9,11,15-17,25H,4-7,10,12H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of (2-cyclopropyl-5,7-dimethylquinolin-4-yl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone?
(2-cyclopropyl-5,7-dimethylquinolin-4-yl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone has a molecular weight of 352.48 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-5,7-dimethylquinolin-4-yl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 167793016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).