3-cyclopropyl-7-methyl-1H-quinolin-4-one

C13H13NO — CID 156532948

IUPAC3-cyclopropyl-7-methyl-1H-quinolin-4-one
SMILESCc1ccc2c(=O)c(C3CC3)c[nH]c2c1
InChIInChI=1S/C13H13NO/c1-8-2-5-10-12(6-8)14-7-11(13(10)15)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,14,15)
InChIKeyMUYUHSWICCJKPG-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.71
Rot. Bonds1

About 3-cyclopropyl-7-methyl-1H-quinolin-4-one

3-cyclopropyl-7-methyl-1H-quinolin-4-one (PubChem CID 156532948) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-cyclopropyl-7-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-7-methyl-1H-quinolin-4-one
PubChem CID156532948
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name3-cyclopropyl-7-methyl-1H-quinolin-4-one
SMILESCc1ccc2c(=O)c(C3CC3)c[nH]c2c1
InChIInChI=1S/C13H13NO/c1-8-2-5-10-12(6-8)14-7-11(13(10)15)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,14,15)
InChIKeyMUYUHSWICCJKPG-UHFFFAOYSA-N
XLogP2.71
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(6-methyl-1H-indol-3-yl)piperidin-1-amine
CID 90932257
6-methyl-3-pyrrolidin-3-yl-1H-indole
CID 54857127
7-methyl-3-phenyl-1H-quinolin-4-one
CID 59110346
ethane;methanethiol;7-methyl-4-oxo-1H-quinoline-3-carbonitrile
CID 143097394
2-[(6-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
CID 84625328
4-hydroxy-6-(6-methyl-1H-indol-3-yl)piperidine-3-carboxylic acid
CID 82667470
3-methoxy-6-methyl-1H-indole
CID 58841092
1-[4-[(6-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone
CID 146409555
2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone
CID 114457331
2-(1H-indol-3-yl)-6-methyl-2,3-dihydro-1H-phenanthro[9,10-d]imidazole
CID 143655533
5-methyl-3-piperidin-3-yl-1H-indole
CID 54857111
3-cyclopentyl-6-propan-2-yl-1H-indole
CID 143161751

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-methyl-1H-quinolin-4-one?
The IUPAC name of 3-cyclopropyl-7-methyl-1H-quinolin-4-one (CID 156532948) is 3-cyclopropyl-7-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-cyclopropyl-7-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-cyclopropyl-7-methyl-1H-quinolin-4-one is Cc1ccc2c(=O)c(C3CC3)c[nH]c2c1.
What is the InChIKey of 3-cyclopropyl-7-methyl-1H-quinolin-4-one?
The InChIKey is MUYUHSWICCJKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-8-2-5-10-12(6-8)14-7-11(13(10)15)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,14,15).
What are the key properties of 3-cyclopropyl-7-methyl-1H-quinolin-4-one?
3-cyclopropyl-7-methyl-1H-quinolin-4-one has a molecular weight of 199.25 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-methyl-1H-quinolin-4-one is sourced from PubChem (CID 156532948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).