N-(2,5-dimethoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

C18H21N3O4 — CID 15988531

IUPACN-(2,5-dimethoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2nc3c(cc2=O)CCCC3)c1
InChIInChI=1S/C18H21N3O4/c1-24-13-7-8-16(25-2)15(10-13)19-17(22)11-21-18(23)9-12-5-3-4-6-14(12)20-21/h7-10H,3-6,11H2,1-2H3,(H,19,22)
InChIKeyIOOVXSRPMLKSKQ-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.78
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

N-(2,5-dimethoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (PubChem CID 15988531) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
PubChem CID15988531
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2nc3c(cc2=O)CCCC3)c1
InChIInChI=1S/C18H21N3O4/c1-24-13-7-8-16(25-2)15(10-13)19-17(22)11-21-18(23)9-12-5-3-4-6-14(12)20-21/h7-10H,3-6,11H2,1-2H3,(H,19,22)
InChIKeyIOOVXSRPMLKSKQ-UHFFFAOYSA-N
XLogP1.78
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (CID 15988531) is N-(2,5-dimethoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is COc1ccc(OC)c(NC(=O)Cn2nc3c(cc2=O)CCCC3)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The InChIKey is IOOVXSRPMLKSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-24-13-7-8-16(25-2)15(10-13)19-17(22)11-21-18(23)9-12-5-3-4-6-14(12)20-21/h7-10H,3-6,11H2,1-2H3,(H,19,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
N-(2,5-dimethoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide has a molecular weight of 343.38 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is sourced from PubChem (CID 15988531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).