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

C18H18N4O3 — CID 23629663

IUPAC4-amino-8-(2,5-dimethoxyphenyl)-N-methylcinnoline-3-carboxamide
SMILESCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)cccc2c1N
InChIInChI=1S/C18H18N4O3/c1-20-18(23)17-15(19)12-6-4-5-11(16(12)21-22-17)13-9-10(24-2)7-8-14(13)25-3/h4-9H,1-3H3,(H2,19,21)(H,20,23)
InChIKeyFKATWOUWYYENKU-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.26
Rot. Bonds4

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

4-amino-8-(2,5-dimethoxyphenyl)-N-methylcinnoline-3-carboxamide (PubChem CID 23629663) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 4-amino-8-(2,5-dimethoxyphenyl)-N-methylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(2,5-dimethoxyphenyl)-N-methylcinnoline-3-carboxamide
PubChem CID23629663
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name4-amino-8-(2,5-dimethoxyphenyl)-N-methylcinnoline-3-carboxamide
SMILESCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)cccc2c1N
InChIInChI=1S/C18H18N4O3/c1-20-18(23)17-15(19)12-6-4-5-11(16(12)21-22-17)13-9-10(24-2)7-8-14(13)25-3/h4-9H,1-3H3,(H2,19,21)(H,20,23)
InChIKeyFKATWOUWYYENKU-UHFFFAOYSA-N
XLogP2.26
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.26
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-methylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(2,5-dimethoxyphenyl)-N-methylcinnoline-3-carboxamide (CID 23629663) is 4-amino-8-(2,5-dimethoxyphenyl)-N-methylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(2,5-dimethoxyphenyl)-N-methylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(2,5-dimethoxyphenyl)-N-methylcinnoline-3-carboxamide is CNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)cccc2c1N.
What is the InChIKey of 4-amino-8-(2,5-dimethoxyphenyl)-N-methylcinnoline-3-carboxamide?
The InChIKey is FKATWOUWYYENKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-20-18(23)17-15(19)12-6-4-5-11(16(12)21-22-17)13-9-10(24-2)7-8-14(13)25-3/h4-9H,1-3H3,(H2,19,21)(H,20,23).
What are the key properties of 4-amino-8-(2,5-dimethoxyphenyl)-N-methylcinnoline-3-carboxamide?
4-amino-8-(2,5-dimethoxyphenyl)-N-methylcinnoline-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.26, 4 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-methylcinnoline-3-carboxamide is sourced from PubChem (CID 23629663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).