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

C25H29ClN4O2 — CID 11144867

IUPACN-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-3-(4-methylpiperidin-1-yl)propanamide
SMILESCC1CCN(CCC(=O)Nc2cc(CO)cc(Nc3ccnc4cc(Cl)ccc34)c2)CC1
InChIInChI=1S/C25H29ClN4O2/c1-17-5-9-30(10-6-17)11-7-25(32)29-21-13-18(16-31)12-20(15-21)28-23-4-8-27-24-14-19(26)2-3-22(23)24/h2-4,8,12-15,17,31H,5-7,9-11,16H2,1H3,(H,27,28)(H,29,32)
InChIKeyLZCSDFKRUPKDNA-UHFFFAOYSA-N
MW452.99 g/mol
LogP5.18
Rot. Bonds7

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

N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-3-(4-methylpiperidin-1-yl)propanamide (PubChem CID 11144867) has the molecular formula C25H29ClN4O2 and a molecular weight of 452.99 g/mol. Its IUPAC name is N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-3-(4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-3-(4-methylpiperidin-1-yl)propanamide
PubChem CID11144867
Molecular FormulaC25H29ClN4O2
Molecular Weight452.99 g/mol
Exact Mass452.20
IUPAC NameN-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-3-(4-methylpiperidin-1-yl)propanamide
SMILESCC1CCN(CCC(=O)Nc2cc(CO)cc(Nc3ccnc4cc(Cl)ccc34)c2)CC1
InChIInChI=1S/C25H29ClN4O2/c1-17-5-9-30(10-6-17)11-7-25(32)29-21-13-18(16-31)12-20(15-21)28-23-4-8-27-24-14-19(26)2-3-22(23)24/h2-4,8,12-15,17,31H,5-7,9-11,16H2,1H3,(H,27,28)(H,29,32)
InChIKeyLZCSDFKRUPKDNA-UHFFFAOYSA-N
XLogP5.18
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.99
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-3-(4-methylpiperidin-1-yl)propanamide 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]-3-(4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-3-(4-methylpiperidin-1-yl)propanamide (CID 11144867) is N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-3-(4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-3-(4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-3-(4-methylpiperidin-1-yl)propanamide is CC1CCN(CCC(=O)Nc2cc(CO)cc(Nc3ccnc4cc(Cl)ccc34)c2)CC1.
What is the InChIKey of N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-3-(4-methylpiperidin-1-yl)propanamide?
The InChIKey is LZCSDFKRUPKDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O2/c1-17-5-9-30(10-6-17)11-7-25(32)29-21-13-18(16-31)12-20(15-21)28-23-4-8-27-24-14-19(26)2-3-22(23)24/h2-4,8,12-15,17,31H,5-7,9-11,16H2,1H3,(H,27,28)(H,29,32).
What are the key properties of N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-3-(4-methylpiperidin-1-yl)propanamide?
N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-3-(4-methylpiperidin-1-yl)propanamide has a molecular weight of 452.99 g/mol, XLogP of 5.18, 7 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]-3-(4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 11144867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).