4-amino-N-cyclopropyl-8-(2,4-dimethoxyphenyl)cinnoline-3-carboxamide

C20H20N4O3 — CID 23629695

IUPAC4-amino-N-cyclopropyl-8-(2,4-dimethoxyphenyl)cinnoline-3-carboxamide
SMILESCOc1ccc(-c2cccc3c(N)c(C(=O)NC4CC4)nnc23)c(OC)c1
InChIInChI=1S/C20H20N4O3/c1-26-12-8-9-13(16(10-12)27-2)14-4-3-5-15-17(21)19(24-23-18(14)15)20(25)22-11-6-7-11/h3-5,8-11H,6-7H2,1-2H3,(H2,21,23)(H,22,25)
InChIKeyROLRBHDSPMDBJZ-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.79
Rot. Bonds5

About 4-amino-N-cyclopropyl-8-(2,4-dimethoxyphenyl)cinnoline-3-carboxamide

4-amino-N-cyclopropyl-8-(2,4-dimethoxyphenyl)cinnoline-3-carboxamide (PubChem CID 23629695) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-8-(2,4-dimethoxyphenyl)cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-8-(2,4-dimethoxyphenyl)cinnoline-3-carboxamide
PubChem CID23629695
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name4-amino-N-cyclopropyl-8-(2,4-dimethoxyphenyl)cinnoline-3-carboxamide
SMILESCOc1ccc(-c2cccc3c(N)c(C(=O)NC4CC4)nnc23)c(OC)c1
InChIInChI=1S/C20H20N4O3/c1-26-12-8-9-13(16(10-12)27-2)14-4-3-5-15-17(21)19(24-23-18(14)15)20(25)22-11-6-7-11/h3-5,8-11H,6-7H2,1-2H3,(H2,21,23)(H,22,25)
InChIKeyROLRBHDSPMDBJZ-UHFFFAOYSA-N
XLogP2.79
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-cyclobutyl-8-(2,3,4-trimethoxyphenyl)cinnoline-3-carboxamide
CID 25183553
4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide
CID 59791621
4-amino-N-butyl-8-(2,5-dimethoxyphenyl)cinnoline-3-carboxamide
CID 23629661
4-amino-N-cyclobutyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide
CID 59791549
4-amino-N-cyclobutyl-8-(2,3-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide
CID 59791565
2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide
CID 3575528
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
1-N-cyclopropyl-4-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109043393
4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 59791593
3-amino-N-cyclopropyl-4-(2,4-dimethoxyanilino)benzamide
CID 100630364
5-N-cyclopropyl-3-N-(2,4-dimethoxyphenyl)pyridine-3,5-dicarboxamide
CID 109101658
3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109052232

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-8-(2,4-dimethoxyphenyl)cinnoline-3-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-8-(2,4-dimethoxyphenyl)cinnoline-3-carboxamide (CID 23629695) is 4-amino-N-cyclopropyl-8-(2,4-dimethoxyphenyl)cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-8-(2,4-dimethoxyphenyl)cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-8-(2,4-dimethoxyphenyl)cinnoline-3-carboxamide is COc1ccc(-c2cccc3c(N)c(C(=O)NC4CC4)nnc23)c(OC)c1.
What is the InChIKey of 4-amino-N-cyclopropyl-8-(2,4-dimethoxyphenyl)cinnoline-3-carboxamide?
The InChIKey is ROLRBHDSPMDBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-12-8-9-13(16(10-12)27-2)14-4-3-5-15-17(21)19(24-23-18(14)15)20(25)22-11-6-7-11/h3-5,8-11H,6-7H2,1-2H3,(H2,21,23)(H,22,25).
What are the key properties of 4-amino-N-cyclopropyl-8-(2,4-dimethoxyphenyl)cinnoline-3-carboxamide?
4-amino-N-cyclopropyl-8-(2,4-dimethoxyphenyl)cinnoline-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-8-(2,4-dimethoxyphenyl)cinnoline-3-carboxamide is sourced from PubChem (CID 23629695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).