N-[2-(2,5-dimethoxyphenyl)ethyl]cinnoline-3-carboxamide

C19H19N3O3 — CID 110705099

IUPACN-[2-(2,5-dimethoxyphenyl)ethyl]cinnoline-3-carboxamide
SMILESCOc1ccc(OC)c(CCNC(=O)c2cc3ccccc3nn2)c1
InChIInChI=1S/C19H19N3O3/c1-24-15-7-8-18(25-2)14(11-15)9-10-20-19(23)17-12-13-5-3-4-6-16(13)21-22-17/h3-8,11-12H,9-10H2,1-2H3,(H,20,23)
InChIKeyLJEUMHHIIVXGEQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.62
Rot. Bonds6

About N-[2-(2,5-dimethoxyphenyl)ethyl]cinnoline-3-carboxamide

N-[2-(2,5-dimethoxyphenyl)ethyl]cinnoline-3-carboxamide (PubChem CID 110705099) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)ethyl]cinnoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)ethyl]cinnoline-3-carboxamide
PubChem CID110705099
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[2-(2,5-dimethoxyphenyl)ethyl]cinnoline-3-carboxamide
SMILESCOc1ccc(OC)c(CCNC(=O)c2cc3ccccc3nn2)c1
InChIInChI=1S/C19H19N3O3/c1-24-15-7-8-18(25-2)14(11-15)9-10-20-19(23)17-12-13-5-3-4-6-16(13)21-22-17/h3-8,11-12H,9-10H2,1-2H3,(H,20,23)
InChIKeyLJEUMHHIIVXGEQ-UHFFFAOYSA-N
XLogP2.62
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2,5-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685272
N-(2-acetamidoethyl)cinnoline-3-carboxamide
CID 110705098
N-[2-(2,5-dimethoxyphenyl)ethyl]-1,2-thiazole-5-carboxamide
CID 110692153
6-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122307
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 22742653
7-methoxy-N-[2-(pyridin-2-ylamino)ethyl]cinnoline-3-carboxamide
CID 166386362
2-(4-aminophenyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3812541
N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
CID 20893918
2-(2,5-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 78820291
4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 119279771
N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide
CID 110705225
N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]cinnoline-3-carboxamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]cinnoline-3-carboxamide (CID 110705099) is N-[2-(2,5-dimethoxyphenyl)ethyl]cinnoline-3-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)ethyl]cinnoline-3-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)ethyl]cinnoline-3-carboxamide is COc1ccc(OC)c(CCNC(=O)c2cc3ccccc3nn2)c1.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)ethyl]cinnoline-3-carboxamide?
The InChIKey is LJEUMHHIIVXGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-15-7-8-18(25-2)14(11-15)9-10-20-19(23)17-12-13-5-3-4-6-16(13)21-22-17/h3-8,11-12H,9-10H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(2,5-dimethoxyphenyl)ethyl]cinnoline-3-carboxamide?
N-[2-(2,5-dimethoxyphenyl)ethyl]cinnoline-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)ethyl]cinnoline-3-carboxamide is sourced from PubChem (CID 110705099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).