3-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one

C20H26N2O3 — CID 95554707

IUPAC3-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one
SMILESCC(C)CCC[C@H]1CN(C(=O)c2cc3ccccc3[nH]c2=O)CCO1
InChIInChI=1S/C20H26N2O3/c1-14(2)6-5-8-16-13-22(10-11-25-16)20(24)17-12-15-7-3-4-9-18(15)21-19(17)23/h3-4,7,9,12,14,16H,5-6,8,10-11,13H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyMTVUFHHNOWWGKW-INIZCTEOSA-N
MW342.44 g/mol
LogP3.20
Rot. Bonds5

About 3-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one

3-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one (PubChem CID 95554707) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one
PubChem CID95554707
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name3-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one
SMILESCC(C)CCC[C@H]1CN(C(=O)c2cc3ccccc3[nH]c2=O)CCO1
InChIInChI=1S/C20H26N2O3/c1-14(2)6-5-8-16-13-22(10-11-25-16)20(24)17-12-15-7-3-4-9-18(15)21-19(17)23/h3-4,7,9,12,14,16H,5-6,8,10-11,13H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyMTVUFHHNOWWGKW-INIZCTEOSA-N
XLogP3.20
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
CID 95556503
3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119396572
3-chloro-5-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56866305
(2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
CID 56875364
2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
CID 42519260
3-(4-methylpiperidine-1-carbonyl)-1H-quinolin-2-one
CID 16589973
(5-methoxyfuran-2-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
CID 45182494
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119518541
7-fluoro-3-(2-methylmorpholine-4-carbonyl)-1H-quinolin-2-one
CID 110631278
3-[(2S)-2-(3-phenylpropyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 95552345
3-[(2R)-2-(3-phenylpropyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 95552344
2-methyl-1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]propan-1-one
CID 95225161

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one (CID 95554707) is 3-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one is CC(C)CCC[C@H]1CN(C(=O)c2cc3ccccc3[nH]c2=O)CCO1.
What is the InChIKey of 3-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one?
The InChIKey is MTVUFHHNOWWGKW-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14(2)6-5-8-16-13-22(10-11-25-16)20(24)17-12-15-7-3-4-9-18(15)21-19(17)23/h3-4,7,9,12,14,16H,5-6,8,10-11,13H2,1-2H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 3-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one?
3-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one has a molecular weight of 342.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 95554707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).