1-methyl-3-[(2-prop-2-ynylmorpholin-4-yl)methyl]quinolin-2-one

C18H20N2O2 — CID 155961607

IUPAC1-methyl-3-[(2-prop-2-ynylmorpholin-4-yl)methyl]quinolin-2-one
SMILESC#CCC1CN(Cc2cc3ccccc3n(C)c2=O)CCO1
InChIInChI=1S/C18H20N2O2/c1-3-6-16-13-20(9-10-22-16)12-15-11-14-7-4-5-8-17(14)19(2)18(15)21/h1,4-5,7-8,11,16H,6,9-10,12-13H2,2H3
InChIKeyNTUCYAILLGVDEY-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.76
Rot. Bonds3

About 1-methyl-3-[(2-prop-2-ynylmorpholin-4-yl)methyl]quinolin-2-one

1-methyl-3-[(2-prop-2-ynylmorpholin-4-yl)methyl]quinolin-2-one (PubChem CID 155961607) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-methyl-3-[(2-prop-2-ynylmorpholin-4-yl)methyl]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(2-prop-2-ynylmorpholin-4-yl)methyl]quinolin-2-one
PubChem CID155961607
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-methyl-3-[(2-prop-2-ynylmorpholin-4-yl)methyl]quinolin-2-one
SMILESC#CCC1CN(Cc2cc3ccccc3n(C)c2=O)CCO1
InChIInChI=1S/C18H20N2O2/c1-3-6-16-13-20(9-10-22-16)12-15-11-14-7-4-5-8-17(14)19(2)18(15)21/h1,4-5,7-8,11,16H,6,9-10,12-13H2,2H3
InChIKeyNTUCYAILLGVDEY-UHFFFAOYSA-N
XLogP1.76
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)quinolin-2-one
CID 91844338
3-methyl-9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56886578
N-[2-[(3R)-1-[(1-methyl-2-oxoquinolin-3-yl)methyl]piperidin-3-yl]ethyl]acetamide
CID 95210015
1-methyl-3-[[(3S)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]quinolin-2-one
CID 136706472
(3aR,7aR)-2-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137337034
3-[[(3aR,5R,6R,7aS)-5-hydroxy-6-pyrazol-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]methyl]-1-methylquinolin-2-one
CID 175643050
2-[(3S)-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]morpholin-3-yl]acetic acid
CID 95716426
9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 163308018
1-methyl-3-[[4-(1-methylpyrrolidin-3-yl)triazol-1-yl]methyl]quinolin-2-one
CID 166265938
1-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 125143071
3-[[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]methyl]-1-methylquinolin-2-one
CID 164688908
3-(2,2-dimethylpropyl)-1-methylquinolin-2-one
CID 59736944

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-prop-2-ynylmorpholin-4-yl)methyl]quinolin-2-one?
The IUPAC name of 1-methyl-3-[(2-prop-2-ynylmorpholin-4-yl)methyl]quinolin-2-one (CID 155961607) is 1-methyl-3-[(2-prop-2-ynylmorpholin-4-yl)methyl]quinolin-2-one.
What is the SMILES notation for 1-methyl-3-[(2-prop-2-ynylmorpholin-4-yl)methyl]quinolin-2-one?
The canonical SMILES for 1-methyl-3-[(2-prop-2-ynylmorpholin-4-yl)methyl]quinolin-2-one is C#CCC1CN(Cc2cc3ccccc3n(C)c2=O)CCO1.
What is the InChIKey of 1-methyl-3-[(2-prop-2-ynylmorpholin-4-yl)methyl]quinolin-2-one?
The InChIKey is NTUCYAILLGVDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-6-16-13-20(9-10-22-16)12-15-11-14-7-4-5-8-17(14)19(2)18(15)21/h1,4-5,7-8,11,16H,6,9-10,12-13H2,2H3.
What are the key properties of 1-methyl-3-[(2-prop-2-ynylmorpholin-4-yl)methyl]quinolin-2-one?
1-methyl-3-[(2-prop-2-ynylmorpholin-4-yl)methyl]quinolin-2-one has a molecular weight of 296.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-prop-2-ynylmorpholin-4-yl)methyl]quinolin-2-one is sourced from PubChem (CID 155961607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).