5-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-methoxybenzamide

C24H27ClN4O2 — CID 15987638

IUPAC5-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-methoxybenzamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)c4cc(Cl)ccc4OC)ccc3n2)CC1
InChIInChI=1S/C24H27ClN4O2/c1-4-28-9-11-29(12-10-28)23-13-16(2)19-15-18(6-7-21(19)27-23)26-24(30)20-14-17(25)5-8-22(20)31-3/h5-8,13-15H,4,9-12H2,1-3H3,(H,26,30)
InChIKeyMDIBEHYTUQHTRX-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.60
Rot. Bonds5

About 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-methoxybenzamide

5-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-methoxybenzamide (PubChem CID 15987638) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-methoxybenzamide
PubChem CID15987638
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC Name5-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-methoxybenzamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)c4cc(Cl)ccc4OC)ccc3n2)CC1
InChIInChI=1S/C24H27ClN4O2/c1-4-28-9-11-29(12-10-28)23-13-16(2)19-15-18(6-7-21(19)27-23)26-24(30)20-14-17(25)5-8-22(20)31-3/h5-8,13-15H,4,9-12H2,1-3H3,(H,26,30)
InChIKeyMDIBEHYTUQHTRX-UHFFFAOYSA-N
XLogP4.60
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-methoxybenzamide (CID 15987638) is 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-methoxybenzamide is CCN1CCN(c2cc(C)c3cc(NC(=O)c4cc(Cl)ccc4OC)ccc3n2)CC1.
What is the InChIKey of 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-methoxybenzamide?
The InChIKey is MDIBEHYTUQHTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-4-28-9-11-29(12-10-28)23-13-16(2)19-15-18(6-7-21(19)27-23)26-24(30)20-14-17(25)5-8-22(20)31-3/h5-8,13-15H,4,9-12H2,1-3H3,(H,26,30).
What are the key properties of 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-methoxybenzamide?
5-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-methoxybenzamide has a molecular weight of 438.96 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-methoxybenzamide is sourced from PubChem (CID 15987638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).