2-chloro-6,7-dimethoxy-N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-amine

C26H26ClN5O4S — CID 85473009

IUPAC2-chloro-6,7-dimethoxy-N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-amine
SMILESCOc1cc2nc(Cl)nc(Nc3ccc(S(=O)(=O)N4CCN(c5ccccc5)CC4)cc3)c2cc1OC
InChIInChI=1S/C26H26ClN5O4S/c1-35-23-16-21-22(17-24(23)36-2)29-26(27)30-25(21)28-18-8-10-20(11-9-18)37(33,34)32-14-12-31(13-15-32)19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3,(H,28,29,30)
InChIKeyTVHZQNXQKDTMIK-UHFFFAOYSA-N
MW540.05 g/mol
LogP4.55
Rot. Bonds7

About 2-chloro-6,7-dimethoxy-N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-amine

2-chloro-6,7-dimethoxy-N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-amine (PubChem CID 85473009) has the molecular formula C26H26ClN5O4S and a molecular weight of 540.05 g/mol. Its IUPAC name is 2-chloro-6,7-dimethoxy-N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-6,7-dimethoxy-N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-amine
PubChem CID85473009
Molecular FormulaC26H26ClN5O4S
Molecular Weight540.05 g/mol
Exact Mass539.14
IUPAC Name2-chloro-6,7-dimethoxy-N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-amine
SMILESCOc1cc2nc(Cl)nc(Nc3ccc(S(=O)(=O)N4CCN(c5ccccc5)CC4)cc3)c2cc1OC
InChIInChI=1S/C26H26ClN5O4S/c1-35-23-16-21-22(17-24(23)36-2)29-26(27)30-25(21)28-18-8-10-20(11-9-18)37(33,34)32-14-12-31(13-15-32)19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3,(H,28,29,30)
InChIKeyTVHZQNXQKDTMIK-UHFFFAOYSA-N
XLogP4.55
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.05
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-chloro-6,7-dimethoxy-N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine
CID 85473005
2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 22693013
N-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22693257
4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 22693234
3-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-hydroxybenzenesulfonic acid
CID 22693033
1-(3-iodo-4-methoxyphenyl)sulfonyl-4-phenylpiperazine
CID 2979675
4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentyl-6,7-dimethoxyquinazoline
CID 171989287
2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 45262047
6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 117084289
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine
CID 22692861
N-benzhydryl-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22693150
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dimethoxy-N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-amine?
The IUPAC name of 2-chloro-6,7-dimethoxy-N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-amine (CID 85473009) is 2-chloro-6,7-dimethoxy-N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-amine.
What is the SMILES notation for 2-chloro-6,7-dimethoxy-N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-amine?
The canonical SMILES for 2-chloro-6,7-dimethoxy-N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-amine is COc1cc2nc(Cl)nc(Nc3ccc(S(=O)(=O)N4CCN(c5ccccc5)CC4)cc3)c2cc1OC.
What is the InChIKey of 2-chloro-6,7-dimethoxy-N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-amine?
The InChIKey is TVHZQNXQKDTMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O4S/c1-35-23-16-21-22(17-24(23)36-2)29-26(27)30-25(21)28-18-8-10-20(11-9-18)37(33,34)32-14-12-31(13-15-32)19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3,(H,28,29,30).
What are the key properties of 2-chloro-6,7-dimethoxy-N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-amine?
2-chloro-6,7-dimethoxy-N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-amine has a molecular weight of 540.05 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dimethoxy-N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-amine is sourced from PubChem (CID 85473009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).