N-[2-(2-methoxyphenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

C19H23N3O3 — CID 53369424

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESCOc1ccccc1CCNC(=O)Cn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C19H23N3O3/c1-25-17-9-5-3-6-14(17)10-11-20-18(23)13-22-19(24)12-15-7-2-4-8-16(15)21-22/h3,5-6,9,12H,2,4,7-8,10-11,13H2,1H3,(H,20,23)
InChIKeyHJVGUJPNLZKVCN-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.49
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

N-[2-(2-methoxyphenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (PubChem CID 53369424) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
PubChem CID53369424
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESCOc1ccccc1CCNC(=O)Cn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C19H23N3O3/c1-25-17-9-5-3-6-14(17)10-11-20-18(23)13-22-19(24)12-15-7-2-4-8-16(15)21-22/h3,5-6,9,12H,2,4,7-8,10-11,13H2,1H3,(H,20,23)
InChIKeyHJVGUJPNLZKVCN-UHFFFAOYSA-N
XLogP1.49
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (CID 53369424) is N-[2-(2-methoxyphenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is COc1ccccc1CCNC(=O)Cn1nc2c(cc1=O)CCCC2.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The InChIKey is HJVGUJPNLZKVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-25-17-9-5-3-6-14(17)10-11-20-18(23)13-22-19(24)12-15-7-2-4-8-16(15)21-22/h3,5-6,9,12H,2,4,7-8,10-11,13H2,1H3,(H,20,23).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
N-[2-(2-methoxyphenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide has a molecular weight of 341.41 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is sourced from PubChem (CID 53369424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).