N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide

C24H27ClN4O2 — CID 10895455

IUPACN-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2cc(CO)cc(Nc3ccnc4cc(Cl)ccc34)c2)CC1
InChIInChI=1S/C24H27ClN4O2/c1-16-5-8-29(9-6-16)14-24(31)28-20-11-17(15-30)10-19(13-20)27-22-4-7-26-23-12-18(25)2-3-21(22)23/h2-4,7,10-13,16,30H,5-6,8-9,14-15H2,1H3,(H,26,27)(H,28,31)
InChIKeyRBZOKNOUMCLERM-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.79
Rot. Bonds6

About N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide

N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 10895455) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID10895455
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC NameN-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2cc(CO)cc(Nc3ccnc4cc(Cl)ccc34)c2)CC1
InChIInChI=1S/C24H27ClN4O2/c1-16-5-8-29(9-6-16)14-24(31)28-20-11-17(15-30)10-19(13-20)27-22-4-7-26-23-12-18(25)2-3-21(22)23/h2-4,7,10-13,16,30H,5-6,8-9,14-15H2,1H3,(H,26,27)(H,28,31)
InChIKeyRBZOKNOUMCLERM-UHFFFAOYSA-N
XLogP4.79
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide 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 N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide (CID 10895455) is N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide is CC1CCN(CC(=O)Nc2cc(CO)cc(Nc3ccnc4cc(Cl)ccc34)c2)CC1.
What is the InChIKey of N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is RBZOKNOUMCLERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-16-5-8-29(9-6-16)14-24(31)28-20-11-17(15-30)10-19(13-20)27-22-4-7-26-23-12-18(25)2-3-21(22)23/h2-4,7,10-13,16,30H,5-6,8-9,14-15H2,1H3,(H,26,27)(H,28,31).
What are the key properties of N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide?
N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 438.96 g/mol, XLogP of 4.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 10895455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).