4-amino-8-(3-methylphenyl)-N-propylcinnoline-3-carboxamide

C19H20N4O — CID 25133443

IUPAC4-amino-8-(3-methylphenyl)-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3cccc(C)c3)cccc2c1N
InChIInChI=1S/C19H20N4O/c1-3-10-21-19(24)18-16(20)15-9-5-8-14(17(15)22-23-18)13-7-4-6-12(2)11-13/h4-9,11H,3,10H2,1-2H3,(H2,20,22)(H,21,24)
InChIKeyLCNUELABLMGVTP-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.33
Rot. Bonds4

About 4-amino-8-(3-methylphenyl)-N-propylcinnoline-3-carboxamide

4-amino-8-(3-methylphenyl)-N-propylcinnoline-3-carboxamide (PubChem CID 25133443) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-amino-8-(3-methylphenyl)-N-propylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(3-methylphenyl)-N-propylcinnoline-3-carboxamide
PubChem CID25133443
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-amino-8-(3-methylphenyl)-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3cccc(C)c3)cccc2c1N
InChIInChI=1S/C19H20N4O/c1-3-10-21-19(24)18-16(20)15-9-5-8-14(17(15)22-23-18)13-7-4-6-12(2)11-13/h4-9,11H,3,10H2,1-2H3,(H2,20,22)(H,21,24)
InChIKeyLCNUELABLMGVTP-UHFFFAOYSA-N
XLogP3.33
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-8-(3-methylphenyl)-N-propylcinnoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(3-methylphenyl)-N-propylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(3-methylphenyl)-N-propylcinnoline-3-carboxamide (CID 25133443) is 4-amino-8-(3-methylphenyl)-N-propylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(3-methylphenyl)-N-propylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(3-methylphenyl)-N-propylcinnoline-3-carboxamide is CCCNC(=O)c1nnc2c(-c3cccc(C)c3)cccc2c1N.
What is the InChIKey of 4-amino-8-(3-methylphenyl)-N-propylcinnoline-3-carboxamide?
The InChIKey is LCNUELABLMGVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-3-10-21-19(24)18-16(20)15-9-5-8-14(17(15)22-23-18)13-7-4-6-12(2)11-13/h4-9,11H,3,10H2,1-2H3,(H2,20,22)(H,21,24).
What are the key properties of 4-amino-8-(3-methylphenyl)-N-propylcinnoline-3-carboxamide?
4-amino-8-(3-methylphenyl)-N-propylcinnoline-3-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(3-methylphenyl)-N-propylcinnoline-3-carboxamide is sourced from PubChem (CID 25133443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).