N-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)-4-oxoquinolin-1-yl]acetamide

C23H25N3O3 — CID 22425018

IUPACN-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)-4-oxoquinolin-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cc(CN3CCOCC3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C23H25N3O3/c1-17-6-8-19(9-7-17)24-22(27)16-26-15-18(14-25-10-12-29-13-11-25)23(28)20-4-2-3-5-21(20)26/h2-9,15H,10-14,16H2,1H3,(H,24,27)
InChIKeyYEUSZIWFYPQTMG-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.78
Rot. Bonds5

About N-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)-4-oxoquinolin-1-yl]acetamide

N-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)-4-oxoquinolin-1-yl]acetamide (PubChem CID 22425018) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)-4-oxoquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)-4-oxoquinolin-1-yl]acetamide
PubChem CID22425018
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)-4-oxoquinolin-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cc(CN3CCOCC3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C23H25N3O3/c1-17-6-8-19(9-7-17)24-22(27)16-26-15-18(14-25-10-12-29-13-11-25)23(28)20-4-2-3-5-21(20)26/h2-9,15H,10-14,16H2,1H3,(H,24,27)
InChIKeyYEUSZIWFYPQTMG-UHFFFAOYSA-N
XLogP2.78
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)-4-oxoquinolin-1-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)-4-oxoquinolin-1-yl]acetamide (CID 22425018) is N-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)-4-oxoquinolin-1-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)-4-oxoquinolin-1-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)-4-oxoquinolin-1-yl]acetamide is Cc1ccc(NC(=O)Cn2cc(CN3CCOCC3)c(=O)c3ccccc32)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)-4-oxoquinolin-1-yl]acetamide?
The InChIKey is YEUSZIWFYPQTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17-6-8-19(9-7-17)24-22(27)16-26-15-18(14-25-10-12-29-13-11-25)23(28)20-4-2-3-5-21(20)26/h2-9,15H,10-14,16H2,1H3,(H,24,27).
What are the key properties of N-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)-4-oxoquinolin-1-yl]acetamide?
N-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)-4-oxoquinolin-1-yl]acetamide has a molecular weight of 391.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)-4-oxoquinolin-1-yl]acetamide is sourced from PubChem (CID 22425018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).