3-(3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-cinnolin-5-one

C16H16N2O2 — CID 23086704

IUPAC3-(3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-cinnolin-5-one
SMILESCOc1cccc(-c2cc3c(nn2)CC(C)CC3=O)c1
InChIInChI=1S/C16H16N2O2/c1-10-6-15-13(16(19)7-10)9-14(17-18-15)11-4-3-5-12(8-11)20-2/h3-5,8-10H,6-7H2,1-2H3
InChIKeyQPXQRPMAQYOGBE-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.92
Rot. Bonds2

About 3-(3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-cinnolin-5-one

3-(3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-cinnolin-5-one (PubChem CID 23086704) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-cinnolin-5-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-cinnolin-5-one
PubChem CID23086704
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-(3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-cinnolin-5-one
SMILESCOc1cccc(-c2cc3c(nn2)CC(C)CC3=O)c1
InChIInChI=1S/C16H16N2O2/c1-10-6-15-13(16(19)7-10)9-14(17-18-15)11-4-3-5-12(8-11)20-2/h3-5,8-10H,6-7H2,1-2H3
InChIKeyQPXQRPMAQYOGBE-UHFFFAOYSA-N
XLogP2.92
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-methyl-5-oxo-7,8-dihydro-6H-cinnolin-3-yl)benzonitrile
CID 23086708
3-(3-methoxyphenyl)indeno[1,2-c]pyridazin-5-one
CID 10469356
3-methoxy-6-(3-methoxyphenyl)pyridazin-4-amine
CID 117127015
4-bromo-3-chloro-6-(3-methoxyphenyl)pyridazine
CID 117107007
5-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 169410270
2-(3-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 62009055
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
1-methoxy-3-(4-methylcyclohexen-1-yl)benzene
CID 67868072
4-(3-methoxyanilino)-7-methyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 43903150
5-(2-methoxyphenoxy)-2-(3-methoxyphenyl)pyrimidine
CID 150700013
3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135421750

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-cinnolin-5-one?
The IUPAC name of 3-(3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-cinnolin-5-one (CID 23086704) is 3-(3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-cinnolin-5-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-cinnolin-5-one?
The canonical SMILES for 3-(3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-cinnolin-5-one is COc1cccc(-c2cc3c(nn2)CC(C)CC3=O)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-cinnolin-5-one?
The InChIKey is QPXQRPMAQYOGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-6-15-13(16(19)7-10)9-14(17-18-15)11-4-3-5-12(8-11)20-2/h3-5,8-10H,6-7H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-cinnolin-5-one?
3-(3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-cinnolin-5-one has a molecular weight of 268.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-cinnolin-5-one is sourced from PubChem (CID 23086704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).