4-[[8-[5-[(4-acetylpiperazin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide

C26H27N7O3S — CID 67101985

IUPAC4-[[8-[5-[(4-acetylpiperazin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
SMILESCC(=O)N1CCN(Cc2cncc(-c3cccc4cnc(Nc5ccc(S(N)(=O)=O)cc5)nc34)c2)CC1
InChIInChI=1S/C26H27N7O3S/c1-18(34)33-11-9-32(10-12-33)17-19-13-21(15-28-14-19)24-4-2-3-20-16-29-26(31-25(20)24)30-22-5-7-23(8-6-22)37(27,35)36/h2-8,13-16H,9-12,17H2,1H3,(H2,27,35,36)(H,29,30,31)
InChIKeyGONOXAQGYASLHW-UHFFFAOYSA-N
MW517.62 g/mol
LogP2.75
Rot. Bonds6

About 4-[[8-[5-[(4-acetylpiperazin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide

4-[[8-[5-[(4-acetylpiperazin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide (PubChem CID 67101985) has the molecular formula C26H27N7O3S and a molecular weight of 517.62 g/mol. Its IUPAC name is 4-[[8-[5-[(4-acetylpiperazin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[8-[5-[(4-acetylpiperazin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
PubChem CID67101985
Molecular FormulaC26H27N7O3S
Molecular Weight517.62 g/mol
Exact Mass517.19
IUPAC Name4-[[8-[5-[(4-acetylpiperazin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
SMILESCC(=O)N1CCN(Cc2cncc(-c3cccc4cnc(Nc5ccc(S(N)(=O)=O)cc5)nc34)c2)CC1
InChIInChI=1S/C26H27N7O3S/c1-18(34)33-11-9-32(10-12-33)17-19-13-21(15-28-14-19)24-4-2-3-20-16-29-26(31-25(20)24)30-22-5-7-23(8-6-22)37(27,35)36/h2-8,13-16H,9-12,17H2,1H3,(H2,27,35,36)(H,29,30,31)
InChIKeyGONOXAQGYASLHW-UHFFFAOYSA-N
XLogP2.75
TPSA134.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.62
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[8-[5-[(4-acetylpiperazin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide 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

4-[[8-(morpholin-4-ylmethyl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67101719
4-[[8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67102419
4-[[8-[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67101863
4-[[8-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67102048
4-[[8-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67102137
4-[[8-[6-[[(2S)-1-ethylpyrrolidin-2-yl]-methylamino]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67103476
3-[[4-[(4-acetylpiperazin-1-yl)methyl]-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-yl]amino]benzenesulfonamide
CID 11785326
N,8-bis(4-methylsulfonylphenyl)quinazolin-2-amine
CID 175553544
4-[[8-[(2-pyrrolidin-1-ylethylamino)methyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67102122
N-[5-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]-3-pyridinyl]propanamide
CID 139310528
4-[[8-[[benzyl(methyl)amino]methyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67102376
4-[[8-[2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]acetyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 123140037

Frequently Asked Questions

What is the IUPAC name of 4-[[8-[5-[(4-acetylpiperazin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[8-[5-[(4-acetylpiperazin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide (CID 67101985) is 4-[[8-[5-[(4-acetylpiperazin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[8-[5-[(4-acetylpiperazin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[8-[5-[(4-acetylpiperazin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide is CC(=O)N1CCN(Cc2cncc(-c3cccc4cnc(Nc5ccc(S(N)(=O)=O)cc5)nc34)c2)CC1.
What is the InChIKey of 4-[[8-[5-[(4-acetylpiperazin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide?
The InChIKey is GONOXAQGYASLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3S/c1-18(34)33-11-9-32(10-12-33)17-19-13-21(15-28-14-19)24-4-2-3-20-16-29-26(31-25(20)24)30-22-5-7-23(8-6-22)37(27,35)36/h2-8,13-16H,9-12,17H2,1H3,(H2,27,35,36)(H,29,30,31).
What are the key properties of 4-[[8-[5-[(4-acetylpiperazin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide?
4-[[8-[5-[(4-acetylpiperazin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide has a molecular weight of 517.62 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-[5-[(4-acetylpiperazin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 67101985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).