3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one

C19H18N2O2 — CID 56702753

IUPAC3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(CN3Cc4ccccc4C3)c(=O)[nH]c2c1
InChIInChI=1S/C19H18N2O2/c1-23-17-7-6-13-8-16(19(22)20-18(13)9-17)12-21-10-14-4-2-3-5-15(14)11-21/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyIZHGMHQBYQCMGB-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.05
Rot. Bonds3

About 3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one

3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one (PubChem CID 56702753) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one
PubChem CID56702753
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(CN3Cc4ccccc4C3)c(=O)[nH]c2c1
InChIInChI=1S/C19H18N2O2/c1-23-17-7-6-13-8-16(19(22)20-18(13)9-17)12-21-10-14-4-2-3-5-15(14)11-21/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyIZHGMHQBYQCMGB-UHFFFAOYSA-N
XLogP3.05
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 70727175
7-methoxy-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 56714788
3-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 56719260
7-methoxy-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110363214
benzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7447354
3-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 110363209
7-methoxy-3-[[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95210664
7-methoxy-3-[[3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56708818
4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid
CID 97209780
7-methoxy-3-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 95216039
3-[[2-(4-chlorobenzoyl)pyrrol-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 25069118
3-(2-aminobutyl)-7-methoxy-1H-quinolin-2-one;hydrochloride
CID 170889697

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one (CID 56702753) is 3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one is COc1ccc2cc(CN3Cc4ccccc4C3)c(=O)[nH]c2c1.
What is the InChIKey of 3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one?
The InChIKey is IZHGMHQBYQCMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-23-17-7-6-13-8-16(19(22)20-18(13)9-17)12-21-10-14-4-2-3-5-15(14)11-21/h2-9H,10-12H2,1H3,(H,20,22).
What are the key properties of 3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one?
3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one has a molecular weight of 306.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 56702753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).