2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one

C18H20N2O2 — CID 51075110

IUPAC2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCc1ccc(C)c(C(=O)Cn2nc3c(cc2=O)CCCC3)c1
InChIInChI=1S/C18H20N2O2/c1-12-7-8-13(2)15(9-12)17(21)11-20-18(22)10-14-5-3-4-6-16(14)19-20/h7-10H,3-6,11H2,1-2H3
InChIKeyFLWDZGURDDLGIR-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.62
Rot. Bonds3

About 2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 51075110) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID51075110
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCc1ccc(C)c(C(=O)Cn2nc3c(cc2=O)CCCC3)c1
InChIInChI=1S/C18H20N2O2/c1-12-7-8-13(2)15(9-12)17(21)11-20-18(22)10-14-5-3-4-6-16(14)19-20/h7-10H,3-6,11H2,1-2H3
InChIKeyFLWDZGURDDLGIR-UHFFFAOYSA-N
XLogP2.62
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[(3-methylphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
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CID 714735
2-Methyl-4-[4-methyl-3-(piperidin-1-ylmethyl)phenyl]phthalazin-1-one
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3-[4-(4-methylphenyl)-1-oxophthalazin-2(1H)-yl]propanamide
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4-(3-methyl-4-oxophthalazin-1-yl)-N-propylbenzamide
CID 3155239
3-benzyl-N,N-diethyl-4-oxophthalazine-1-carboxamide
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N-Benzyl-2-(4-methyl-1-oxo-1H-phthalazin-2-yl)-acetamide
CID 589822
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CID 1889301

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 51075110) is 2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one is Cc1ccc(C)c(C(=O)Cn2nc3c(cc2=O)CCCC3)c1.
What is the InChIKey of 2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is FLWDZGURDDLGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-7-8-13(2)15(9-12)17(21)11-20-18(22)10-14-5-3-4-6-16(14)19-20/h7-10H,3-6,11H2,1-2H3.
What are the key properties of 2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 296.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 51075110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).