3-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]propanamide

C25H29ClN4O2 — CID 142905279

IUPAC3-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]propanamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)CCOc4ccc(Cl)cc4)ccc3n2)CC1
InChIInChI=1S/C25H29ClN4O2/c1-3-29-11-13-30(14-12-29)24-16-18(2)22-17-20(6-9-23(22)28-24)27-25(31)10-15-32-21-7-4-19(26)5-8-21/h4-9,16-17H,3,10-15H2,1-2H3,(H,27,31)
InChIKeyCJILKFKUZFNDEH-UHFFFAOYSA-N
MW452.99 g/mol
LogP4.75
Rot. Bonds7

About 3-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]propanamide

3-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]propanamide (PubChem CID 142905279) has the molecular formula C25H29ClN4O2 and a molecular weight of 452.99 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]propanamide
PubChem CID142905279
Molecular FormulaC25H29ClN4O2
Molecular Weight452.99 g/mol
Exact Mass452.20
IUPAC Name3-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]propanamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)CCOc4ccc(Cl)cc4)ccc3n2)CC1
InChIInChI=1S/C25H29ClN4O2/c1-3-29-11-13-30(14-12-29)24-16-18(2)22-17-20(6-9-23(22)28-24)27-25(31)10-15-32-21-7-4-19(26)5-8-21/h4-9,16-17H,3,10-15H2,1-2H3,(H,27,31)
InChIKeyCJILKFKUZFNDEH-UHFFFAOYSA-N
XLogP4.75
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.99
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
CID 58646209
N-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 22427017
3-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 15987637
2-(2-chloro-6-fluorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
CID 22421740
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 46364144
N'-(5-chloro-2-methoxyphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 22427000
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-[(3S)-3-methylpiperidin-1-yl]-4-oxobutanamide
CID 92655611
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(4-nitrophenyl)acetamide
CID 46504475
4-tert-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 44522357
4-(5-chloro-2-methylphenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]piperazine-1-carbothioamide
CID 46247979
(E)-3-(2-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]prop-2-enamide
CID 45488246
3-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 46364134

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]propanamide?
The IUPAC name of 3-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]propanamide (CID 142905279) is 3-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]propanamide.
What is the SMILES notation for 3-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]propanamide?
The canonical SMILES for 3-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]propanamide is CCN1CCN(c2cc(C)c3cc(NC(=O)CCOc4ccc(Cl)cc4)ccc3n2)CC1.
What is the InChIKey of 3-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]propanamide?
The InChIKey is CJILKFKUZFNDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O2/c1-3-29-11-13-30(14-12-29)24-16-18(2)22-17-20(6-9-23(22)28-24)27-25(31)10-15-32-21-7-4-19(26)5-8-21/h4-9,16-17H,3,10-15H2,1-2H3,(H,27,31).
What are the key properties of 3-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]propanamide?
3-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]propanamide has a molecular weight of 452.99 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]propanamide is sourced from PubChem (CID 142905279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).