N-ethyl-N-(2-hydroxyethyl)-2-(4-oxocinnolin-1-yl)acetamide

C14H17N3O3 — CID 78855476

IUPACN-ethyl-N-(2-hydroxyethyl)-2-(4-oxocinnolin-1-yl)acetamide
SMILESCCN(CCO)C(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C14H17N3O3/c1-2-16(7-8-18)14(20)10-17-12-6-4-3-5-11(12)13(19)9-15-17/h3-6,9,18H,2,7-8,10H2,1H3
InChIKeyYJGUAIBSBOFAQK-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.24
Rot. Bonds5

About N-ethyl-N-(2-hydroxyethyl)-2-(4-oxocinnolin-1-yl)acetamide

N-ethyl-N-(2-hydroxyethyl)-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 78855476) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID78855476
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-2-(4-oxocinnolin-1-yl)acetamide
SMILESCCN(CCO)C(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C14H17N3O3/c1-2-16(7-8-18)14(20)10-17-12-6-4-3-5-11(12)13(19)9-15-17/h3-6,9,18H,2,7-8,10H2,1H3
InChIKeyYJGUAIBSBOFAQK-UHFFFAOYSA-N
XLogP0.24
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 60557343
N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 47118864
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
1-(2-oxopentyl)cinnolin-4-one
CID 62043361
2-(4-oxocinnolin-1-yl)acetate
CID 7131157
N-methyl-N-naphthalen-2-yl-2-(4-oxocinnolin-1-yl)acetamide
CID 134012541
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 86925735
N-[(2-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 166194272
N-[(2-methylphenyl)methyl]-2-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 55982590
2-(3-bromo-2-methylindol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 78901896
N-tert-butylsulfonyl-2-(4-oxocinnolin-1-yl)acetamide
CID 167942229
N-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide
CID 78672212

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-(4-oxocinnolin-1-yl)acetamide (CID 78855476) is N-ethyl-N-(2-hydroxyethyl)-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-2-(4-oxocinnolin-1-yl)acetamide is CCN(CCO)C(=O)Cn1ncc(=O)c2ccccc21.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is YJGUAIBSBOFAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-16(7-8-18)14(20)10-17-12-6-4-3-5-11(12)13(19)9-15-17/h3-6,9,18H,2,7-8,10H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-2-(4-oxocinnolin-1-yl)acetamide?
N-ethyl-N-(2-hydroxyethyl)-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 275.31 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 78855476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).