6-methyl-4-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one

C21H28N2O3 — CID 56865879

IUPAC6-methyl-4-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)cc(C(=O)N3CCOC(CCCC(C)C)C3)c2c1
InChIInChI=1S/C21H28N2O3/c1-14(2)5-4-6-16-13-23(9-10-26-16)21(25)18-12-20(24)22-19-8-7-15(3)11-17(18)19/h7-8,11-12,14,16H,4-6,9-10,13H2,1-3H3,(H,22,24)
InChIKeyAKTXOLZOBXLWFM-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.50
Rot. Bonds5

About 6-methyl-4-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one

6-methyl-4-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one (PubChem CID 56865879) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 6-methyl-4-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-4-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one
PubChem CID56865879
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name6-methyl-4-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)cc(C(=O)N3CCOC(CCCC(C)C)C3)c2c1
InChIInChI=1S/C21H28N2O3/c1-14(2)5-4-6-16-13-23(9-10-26-16)21(25)18-12-20(24)22-19-8-7-15(3)11-17(18)19/h7-8,11-12,14,16H,4-6,9-10,13H2,1-3H3,(H,22,24)
InChIKeyAKTXOLZOBXLWFM-UHFFFAOYSA-N
XLogP3.50
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 6-methyl-4-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one (CID 56865879) is 6-methyl-4-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-4-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-4-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)cc(C(=O)N3CCOC(CCCC(C)C)C3)c2c1.
What is the InChIKey of 6-methyl-4-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one?
The InChIKey is AKTXOLZOBXLWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-14(2)5-4-6-16-13-23(9-10-26-16)21(25)18-12-20(24)22-19-8-7-15(3)11-17(18)19/h7-8,11-12,14,16H,4-6,9-10,13H2,1-3H3,(H,22,24).
What are the key properties of 6-methyl-4-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one?
6-methyl-4-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one has a molecular weight of 356.47 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 56865879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).