3-[(1-methylindol-5-yl)methyl]-1H-quinolin-2-one

C19H16N2O — CID 167291231

IUPAC3-[(1-methylindol-5-yl)methyl]-1H-quinolin-2-one
SMILESCn1ccc2cc(Cc3cc4ccccc4[nH]c3=O)ccc21
InChIInChI=1S/C19H16N2O/c1-21-9-8-15-10-13(6-7-18(15)21)11-16-12-14-4-2-3-5-17(14)20-19(16)22/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyITLQKIKECXEBHU-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.61
Rot. Bonds2

About 3-[(1-methylindol-5-yl)methyl]-1H-quinolin-2-one

3-[(1-methylindol-5-yl)methyl]-1H-quinolin-2-one (PubChem CID 167291231) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[(1-methylindol-5-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(1-methylindol-5-yl)methyl]-1H-quinolin-2-one
PubChem CID167291231
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name3-[(1-methylindol-5-yl)methyl]-1H-quinolin-2-one
SMILESCn1ccc2cc(Cc3cc4ccccc4[nH]c3=O)ccc21
InChIInChI=1S/C19H16N2O/c1-21-9-8-15-10-13(6-7-18(15)21)11-16-12-14-4-2-3-5-17(14)20-19(16)22/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyITLQKIKECXEBHU-UHFFFAOYSA-N
XLogP3.61
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylindol-5-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(1-methylindol-5-yl)methyl]-1H-quinolin-2-one (CID 167291231) is 3-[(1-methylindol-5-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(1-methylindol-5-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(1-methylindol-5-yl)methyl]-1H-quinolin-2-one is Cn1ccc2cc(Cc3cc4ccccc4[nH]c3=O)ccc21.
What is the InChIKey of 3-[(1-methylindol-5-yl)methyl]-1H-quinolin-2-one?
The InChIKey is ITLQKIKECXEBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-21-9-8-15-10-13(6-7-18(15)21)11-16-12-14-4-2-3-5-17(14)20-19(16)22/h2-10,12H,11H2,1H3,(H,20,22).
What are the key properties of 3-[(1-methylindol-5-yl)methyl]-1H-quinolin-2-one?
3-[(1-methylindol-5-yl)methyl]-1H-quinolin-2-one has a molecular weight of 288.35 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylindol-5-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 167291231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).