4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-4-ylquinazoline-8-carboxamide

C26H16ClF3N6O3S — CID 162656533

IUPAC4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-4-ylquinazoline-8-carboxamide
SMILESNc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)cc(-c3ccncc3)cc12
InChIInChI=1S/C26H16ClF3N6O3S/c27-18-2-4-20(36-40(38,39)21-11-15(28)1-3-19(21)29)22(30)24(18)35-26(37)17-10-14(13-5-7-32-8-6-13)9-16-23(17)33-12-34-25(16)31/h1-12,36H,(H,35,37)(H2,31,33,34)
InChIKeyHSDQEIZVLLDCOD-UHFFFAOYSA-N
MW584.97 g/mol
LogP5.40
Rot. Bonds6

About 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-4-ylquinazoline-8-carboxamide

4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-4-ylquinazoline-8-carboxamide (PubChem CID 162656533) has the molecular formula C26H16ClF3N6O3S and a molecular weight of 584.97 g/mol. Its IUPAC name is 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-4-ylquinazoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-4-ylquinazoline-8-carboxamide
PubChem CID162656533
Molecular FormulaC26H16ClF3N6O3S
Molecular Weight584.97 g/mol
Exact Mass584.06
IUPAC Name4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-4-ylquinazoline-8-carboxamide
SMILESNc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)cc(-c3ccncc3)cc12
InChIInChI=1S/C26H16ClF3N6O3S/c27-18-2-4-20(36-40(38,39)21-11-15(28)1-3-19(21)29)22(30)24(18)35-26(37)17-10-14(13-5-7-32-8-6-13)9-16-23(17)33-12-34-25(16)31/h1-12,36H,(H,35,37)(H2,31,33,34)
InChIKeyHSDQEIZVLLDCOD-UHFFFAOYSA-N
XLogP5.40
TPSA139.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.97
LogP ≤ 55.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-4-ylquinazoline-8-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-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-4-ylquinazoline-8-carboxamide?
The IUPAC name of 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-4-ylquinazoline-8-carboxamide (CID 162656533) is 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-4-ylquinazoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-4-ylquinazoline-8-carboxamide?
The canonical SMILES for 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-4-ylquinazoline-8-carboxamide is Nc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)cc(-c3ccncc3)cc12.
What is the InChIKey of 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-4-ylquinazoline-8-carboxamide?
The InChIKey is HSDQEIZVLLDCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16ClF3N6O3S/c27-18-2-4-20(36-40(38,39)21-11-15(28)1-3-19(21)29)22(30)24(18)35-26(37)17-10-14(13-5-7-32-8-6-13)9-16-23(17)33-12-34-25(16)31/h1-12,36H,(H,35,37)(H2,31,33,34).
What are the key properties of 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-4-ylquinazoline-8-carboxamide?
4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-4-ylquinazoline-8-carboxamide has a molecular weight of 584.97 g/mol, XLogP of 5.40, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-4-ylquinazoline-8-carboxamide is sourced from PubChem (CID 162656533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).