4-amino-8-(2,5-dimethoxyphenyl)-N-ethylcinnoline-3-carboxamide

C19H20N4O3 — CID 23629662

IUPAC4-amino-8-(2,5-dimethoxyphenyl)-N-ethylcinnoline-3-carboxamide
SMILESCCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)cccc2c1N
InChIInChI=1S/C19H20N4O3/c1-4-21-19(24)18-16(20)13-7-5-6-12(17(13)22-23-18)14-10-11(25-2)8-9-15(14)26-3/h5-10H,4H2,1-3H3,(H2,20,22)(H,21,24)
InChIKeyWFCALMPXVKUYLO-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.65
Rot. Bonds5

About 4-amino-8-(2,5-dimethoxyphenyl)-N-ethylcinnoline-3-carboxamide

4-amino-8-(2,5-dimethoxyphenyl)-N-ethylcinnoline-3-carboxamide (PubChem CID 23629662) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-amino-8-(2,5-dimethoxyphenyl)-N-ethylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(2,5-dimethoxyphenyl)-N-ethylcinnoline-3-carboxamide
PubChem CID23629662
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name4-amino-8-(2,5-dimethoxyphenyl)-N-ethylcinnoline-3-carboxamide
SMILESCCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)cccc2c1N
InChIInChI=1S/C19H20N4O3/c1-4-21-19(24)18-16(20)13-7-5-6-12(17(13)22-23-18)14-10-11(25-2)8-9-15(14)26-3/h5-10H,4H2,1-3H3,(H2,20,22)(H,21,24)
InChIKeyWFCALMPXVKUYLO-UHFFFAOYSA-N
XLogP2.65
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(2,5-dimethoxyphenyl)-N-ethylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(2,5-dimethoxyphenyl)-N-ethylcinnoline-3-carboxamide (CID 23629662) is 4-amino-8-(2,5-dimethoxyphenyl)-N-ethylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(2,5-dimethoxyphenyl)-N-ethylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(2,5-dimethoxyphenyl)-N-ethylcinnoline-3-carboxamide is CCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)cccc2c1N.
What is the InChIKey of 4-amino-8-(2,5-dimethoxyphenyl)-N-ethylcinnoline-3-carboxamide?
The InChIKey is WFCALMPXVKUYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-4-21-19(24)18-16(20)13-7-5-6-12(17(13)22-23-18)14-10-11(25-2)8-9-15(14)26-3/h5-10H,4H2,1-3H3,(H2,20,22)(H,21,24).
What are the key properties of 4-amino-8-(2,5-dimethoxyphenyl)-N-ethylcinnoline-3-carboxamide?
4-amino-8-(2,5-dimethoxyphenyl)-N-ethylcinnoline-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(2,5-dimethoxyphenyl)-N-ethylcinnoline-3-carboxamide is sourced from PubChem (CID 23629662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).