4-(4-aminophenyl)-1-methyl-6-methylsulfanyl-N-propyl-1H-phthalazine-2-carboxamide

C20H24N4OS — CID 10177087

IUPAC4-(4-aminophenyl)-1-methyl-6-methylsulfanyl-N-propyl-1H-phthalazine-2-carboxamide
SMILESCCCNC(=O)N1N=C(c2ccc(N)cc2)c2cc(SC)ccc2C1C
InChIInChI=1S/C20H24N4OS/c1-4-11-22-20(25)24-13(2)17-10-9-16(26-3)12-18(17)19(23-24)14-5-7-15(21)8-6-14/h5-10,12-13H,4,11,21H2,1-3H3,(H,22,25)
InChIKeyZXFFJWOYUPXDPV-UHFFFAOYSA-N
MW368.51 g/mol
LogP4.24
Rot. Bonds4

About 4-(4-aminophenyl)-1-methyl-6-methylsulfanyl-N-propyl-1H-phthalazine-2-carboxamide

4-(4-aminophenyl)-1-methyl-6-methylsulfanyl-N-propyl-1H-phthalazine-2-carboxamide (PubChem CID 10177087) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 4-(4-aminophenyl)-1-methyl-6-methylsulfanyl-N-propyl-1H-phthalazine-2-carboxamide.

Molecular Properties

Compound Name4-(4-aminophenyl)-1-methyl-6-methylsulfanyl-N-propyl-1H-phthalazine-2-carboxamide
PubChem CID10177087
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name4-(4-aminophenyl)-1-methyl-6-methylsulfanyl-N-propyl-1H-phthalazine-2-carboxamide
SMILESCCCNC(=O)N1N=C(c2ccc(N)cc2)c2cc(SC)ccc2C1C
InChIInChI=1S/C20H24N4OS/c1-4-11-22-20(25)24-13(2)17-10-9-16(26-3)12-18(17)19(23-24)14-5-7-15(21)8-6-14/h5-10,12-13H,4,11,21H2,1-3H3,(H,22,25)
InChIKeyZXFFJWOYUPXDPV-UHFFFAOYSA-N
XLogP4.24
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-aminophenyl)-1-methyl-6-methylsulfanyl-N-propyl-1H-phthalazine-2-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-(4-aminophenyl)-1-methyl-6-methylsulfanyl-N-propyl-1H-phthalazine-2-carboxamide?
The IUPAC name of 4-(4-aminophenyl)-1-methyl-6-methylsulfanyl-N-propyl-1H-phthalazine-2-carboxamide (CID 10177087) is 4-(4-aminophenyl)-1-methyl-6-methylsulfanyl-N-propyl-1H-phthalazine-2-carboxamide.
What is the SMILES notation for 4-(4-aminophenyl)-1-methyl-6-methylsulfanyl-N-propyl-1H-phthalazine-2-carboxamide?
The canonical SMILES for 4-(4-aminophenyl)-1-methyl-6-methylsulfanyl-N-propyl-1H-phthalazine-2-carboxamide is CCCNC(=O)N1N=C(c2ccc(N)cc2)c2cc(SC)ccc2C1C.
What is the InChIKey of 4-(4-aminophenyl)-1-methyl-6-methylsulfanyl-N-propyl-1H-phthalazine-2-carboxamide?
The InChIKey is ZXFFJWOYUPXDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-4-11-22-20(25)24-13(2)17-10-9-16(26-3)12-18(17)19(23-24)14-5-7-15(21)8-6-14/h5-10,12-13H,4,11,21H2,1-3H3,(H,22,25).
What are the key properties of 4-(4-aminophenyl)-1-methyl-6-methylsulfanyl-N-propyl-1H-phthalazine-2-carboxamide?
4-(4-aminophenyl)-1-methyl-6-methylsulfanyl-N-propyl-1H-phthalazine-2-carboxamide has a molecular weight of 368.51 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-1-methyl-6-methylsulfanyl-N-propyl-1H-phthalazine-2-carboxamide is sourced from PubChem (CID 10177087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).