N-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide

C19H19N3O3 — CID 110922929

IUPACN-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)Nc1ccc(CCO)cc1
InChIInChI=1S/C19H19N3O3/c23-12-10-14-5-7-15(8-6-14)21-19(25)9-11-22-17-4-2-1-3-16(17)18(24)13-20-22/h1-8,13,23H,9-12H2,(H,21,25)
InChIKeyJDJBTZPVWFZPTC-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.96
Rot. Bonds6

About N-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide

N-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide (PubChem CID 110922929) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
PubChem CID110922929
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)Nc1ccc(CCO)cc1
InChIInChI=1S/C19H19N3O3/c23-12-10-14-5-7-15(8-6-14)21-19(25)9-11-22-17-4-2-1-3-16(17)18(24)13-20-22/h1-8,13,23H,9-12H2,(H,21,25)
InChIKeyJDJBTZPVWFZPTC-UHFFFAOYSA-N
XLogP1.96
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097698
3-(4-oxocinnolin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 18097743
N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254626
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097807
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 51255004
(2-anilino-2-oxoethyl) 3-(4-oxocinnolin-1-yl)propanoate
CID 55444031
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
3-(4-oxocinnolin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 134015511
N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 134015345
3-(4-oxocinnolin-1-yl)propanamide
CID 47123782
N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254629
2-(4-oxocinnolin-1-yl)-N-pyridin-4-ylacetamide
CID 39953740

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide (CID 110922929) is N-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide is O=C(CCn1ncc(=O)c2ccccc21)Nc1ccc(CCO)cc1.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide?
The InChIKey is JDJBTZPVWFZPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-12-10-14-5-7-15(8-6-14)21-19(25)9-11-22-17-4-2-1-3-16(17)18(24)13-20-22/h1-8,13,23H,9-12H2,(H,21,25).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide?
N-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide has a molecular weight of 337.38 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide is sourced from PubChem (CID 110922929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).