4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide

C20H20N4O3 — CID 59791593

IUPAC4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3c(C=O)cccc3OC)cccc2c1N
InChIInChI=1S/C20H20N4O3/c1-3-10-22-20(26)19-17(21)14-8-5-7-13(18(14)23-24-19)16-12(11-25)6-4-9-15(16)27-2/h4-9,11H,3,10H2,1-2H3,(H2,21,23)(H,22,26)
InChIKeySYLSMBXOEKMMKS-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.84
Rot. Bonds6

About 4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide

4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide (PubChem CID 59791593) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide
PubChem CID59791593
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3c(C=O)cccc3OC)cccc2c1N
InChIInChI=1S/C20H20N4O3/c1-3-10-22-20(26)19-17(21)14-8-5-7-13(18(14)23-24-19)16-12(11-25)6-4-9-15(16)27-2/h4-9,11H,3,10H2,1-2H3,(H2,21,23)(H,22,26)
InChIKeySYLSMBXOEKMMKS-UHFFFAOYSA-N
XLogP2.84
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-butyl-8-(2,5-dimethoxyphenyl)cinnoline-3-carboxamide
CID 23629661
4-amino-8-bromo-N-propylcinnoline-3-carboxamide
CID 68792370
4-amino-8-bromo-N-propylcinnoline-3-carboxamide
CID 14012326
4-amino-N-propyl-8-pyrazin-2-ylcinnoline-3-carboxamide
CID 25132066
4-amino-N-propyl-8-[2-(trifluoromethyl)phenyl]cinnoline-3-carboxamide
CID 23630142
4-amino-7-fluoro-8-(4-fluoro-2-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 53240496
4-amino-8-(3-cyanophenyl)-N-propylcinnoline-3-carboxamide
CID 23630140
4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 174558161
4-amino-8-(2,3-dimethylphenyl)-7-fluoro-N-propylcinnoline-3-carboxamide
CID 53240599
4-amino-N-cyclobutyl-8-(2,3,4-trimethoxyphenyl)cinnoline-3-carboxamide
CID 25183553
4-amino-N-cyclopropyl-8-(2,4-dimethoxyphenyl)cinnoline-3-carboxamide
CID 23629695
4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-ethylcinnoline-3-carboxamide
CID 25133442

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide (CID 59791593) is 4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide is CCCNC(=O)c1nnc2c(-c3c(C=O)cccc3OC)cccc2c1N.
What is the InChIKey of 4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide?
The InChIKey is SYLSMBXOEKMMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-3-10-22-20(26)19-17(21)14-8-5-7-13(18(14)23-24-19)16-12(11-25)6-4-9-15(16)27-2/h4-9,11H,3,10H2,1-2H3,(H2,21,23)(H,22,26).
What are the key properties of 4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide?
4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide is sourced from PubChem (CID 59791593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).