3-(2,4-dimethoxyphenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

C24H26N4O5S — CID 6615967

IUPAC3-(2,4-dimethoxyphenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
SMILESCOc1ccc(-n2c(=S)[nH]c3cc(C(=O)NCCCN4CCCC4=O)ccc3c2=O)c(OC)c1
InChIInChI=1S/C24H26N4O5S/c1-32-16-7-9-19(20(14-16)33-2)28-23(31)17-8-6-15(13-18(17)26-24(28)34)22(30)25-10-4-12-27-11-3-5-21(27)29/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,25,30)(H,26,34)
InChIKeyTZTMSPHKDUVANX-UHFFFAOYSA-N
MW482.56 g/mol
LogP2.81
Rot. Bonds8

About 3-(2,4-dimethoxyphenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

3-(2,4-dimethoxyphenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide (PubChem CID 6615967) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
PubChem CID6615967
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Name3-(2,4-dimethoxyphenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
SMILESCOc1ccc(-n2c(=S)[nH]c3cc(C(=O)NCCCN4CCCC4=O)ccc3c2=O)c(OC)c1
InChIInChI=1S/C24H26N4O5S/c1-32-16-7-9-19(20(14-16)33-2)28-23(31)17-8-6-15(13-18(17)26-24(28)34)22(30)25-10-4-12-27-11-3-5-21(27)29/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,25,30)(H,26,34)
InChIKeyTZTMSPHKDUVANX-UHFFFAOYSA-N
XLogP2.81
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(2,4-dimethoxyphenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-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 3-(2,4-dimethoxyphenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide (CID 6615967) is 3-(2,4-dimethoxyphenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide is COc1ccc(-n2c(=S)[nH]c3cc(C(=O)NCCCN4CCCC4=O)ccc3c2=O)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide?
The InChIKey is TZTMSPHKDUVANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-32-16-7-9-19(20(14-16)33-2)28-23(31)17-8-6-15(13-18(17)26-24(28)34)22(30)25-10-4-12-27-11-3-5-21(27)29/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,25,30)(H,26,34).
What are the key properties of 3-(2,4-dimethoxyphenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide?
3-(2,4-dimethoxyphenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide has a molecular weight of 482.56 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 6615967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).