4-(1-cyclopropylethylamino)-N-methyl-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide

C22H24N4O3S — CID 78157786

IUPAC4-(1-cyclopropylethylamino)-N-methyl-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide
SMILESCNC(=O)c1nnc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2c1NC(C)C1CC1
InChIInChI=1S/C22H24N4O3S/c1-13(14-4-5-14)24-20-18-11-8-16(12-19(18)25-26-21(20)22(27)23-2)15-6-9-17(10-7-15)30(3,28)29/h6-14H,4-5H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyBEJAMPAJTWOOOZ-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.27
Rot. Bonds6

About 4-(1-cyclopropylethylamino)-N-methyl-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide

4-(1-cyclopropylethylamino)-N-methyl-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide (PubChem CID 78157786) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 4-(1-cyclopropylethylamino)-N-methyl-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-(1-cyclopropylethylamino)-N-methyl-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide
PubChem CID78157786
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name4-(1-cyclopropylethylamino)-N-methyl-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide
SMILESCNC(=O)c1nnc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2c1NC(C)C1CC1
InChIInChI=1S/C22H24N4O3S/c1-13(14-4-5-14)24-20-18-11-8-16(12-19(18)25-26-21(20)22(27)23-2)15-6-9-17(10-7-15)30(3,28)29/h6-14H,4-5H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyBEJAMPAJTWOOOZ-UHFFFAOYSA-N
XLogP3.27
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(1-cyclopropylethylamino)-N-methyl-7-(4-methylsulfonylphenyl)cinnoline-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-(1-cyclopropylethylamino)-N-methyl-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide?
The IUPAC name of 4-(1-cyclopropylethylamino)-N-methyl-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide (CID 78157786) is 4-(1-cyclopropylethylamino)-N-methyl-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide.
What is the SMILES notation for 4-(1-cyclopropylethylamino)-N-methyl-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide?
The canonical SMILES for 4-(1-cyclopropylethylamino)-N-methyl-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide is CNC(=O)c1nnc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2c1NC(C)C1CC1.
What is the InChIKey of 4-(1-cyclopropylethylamino)-N-methyl-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide?
The InChIKey is BEJAMPAJTWOOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-13(14-4-5-14)24-20-18-11-8-16(12-19(18)25-26-21(20)22(27)23-2)15-6-9-17(10-7-15)30(3,28)29/h6-14H,4-5H2,1-3H3,(H,23,27)(H,24,25).
What are the key properties of 4-(1-cyclopropylethylamino)-N-methyl-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide?
4-(1-cyclopropylethylamino)-N-methyl-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylethylamino)-N-methyl-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide is sourced from PubChem (CID 78157786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).