3-[[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one

C18H24N2O4 — CID 56712683

IUPAC3-[[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one
SMILESCOc1cc2cc(CN(C)CC3(CO)CC3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C18H24N2O4/c1-20(10-18(11-21)4-5-18)9-13-6-12-7-15(23-2)16(24-3)8-14(12)19-17(13)22/h6-8,21H,4-5,9-11H2,1-3H3,(H,19,22)
InChIKeyJUOZWCWOKJXHEA-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.75
Rot. Bonds7

About 3-[[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one

3-[[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one (PubChem CID 56712683) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one
PubChem CID56712683
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name3-[[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one
SMILESCOc1cc2cc(CN(C)CC3(CO)CC3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C18H24N2O4/c1-20(10-18(11-21)4-5-18)9-13-6-12-7-15(23-2)16(24-3)8-14(12)19-17(13)22/h6-8,21H,4-5,9-11H2,1-3H3,(H,19,22)
InChIKeyJUOZWCWOKJXHEA-UHFFFAOYSA-N
XLogP1.75
TPSA74.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one with MolForge

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Related Compounds

[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62265112
3-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea
CID 110325039
1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylthiourea
CID 23770181
6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22649364
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-phenylthiourea
CID 1149700
3-[[(3S,4S)-3,4-bis(hydroxymethyl)pyrrolidin-1-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 56701960
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(dimethylamino)ethyl]-3-phenylthiourea
CID 1150024
1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea
CID 1149754
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(dimethylamino)propyl]-3-phenylthiourea
CID 3177257
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 1459255
7-[[2-hydroxyethyl(methyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 91823152
1-cyclohexyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea
CID 1149734

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one (CID 56712683) is 3-[[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one is COc1cc2cc(CN(C)CC3(CO)CC3)c(=O)[nH]c2cc1OC.
What is the InChIKey of 3-[[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one?
The InChIKey is JUOZWCWOKJXHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-20(10-18(11-21)4-5-18)9-13-6-12-7-15(23-2)16(24-3)8-14(12)19-17(13)22/h6-8,21H,4-5,9-11H2,1-3H3,(H,19,22).
What are the key properties of 3-[[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one?
3-[[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one has a molecular weight of 332.40 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]methyl]-6,7-dimethoxy-1H-quinolin-2-one is sourced from PubChem (CID 56712683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).