4-[[8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide

C26H29N7O2S — CID 67102419

IUPAC4-[[8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
SMILESCC(C)N1CCN(c2ccc(-c3cccc4cnc(Nc5ccc(S(N)(=O)=O)cc5)nc34)cn2)CC1
InChIInChI=1S/C26H29N7O2S/c1-18(2)32-12-14-33(15-13-32)24-11-6-19(16-28-24)23-5-3-4-20-17-29-26(31-25(20)23)30-21-7-9-22(10-8-21)36(27,34)35/h3-11,16-18H,12-15H2,1-2H3,(H2,27,34,35)(H,29,30,31)
InChIKeyCAAOCJPTKQXXGX-UHFFFAOYSA-N
MW503.63 g/mol
LogP3.61
Rot. Bonds6

About 4-[[8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide

4-[[8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide (PubChem CID 67102419) has the molecular formula C26H29N7O2S and a molecular weight of 503.63 g/mol. Its IUPAC name is 4-[[8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
PubChem CID67102419
Molecular FormulaC26H29N7O2S
Molecular Weight503.63 g/mol
Exact Mass503.21
IUPAC Name4-[[8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
SMILESCC(C)N1CCN(c2ccc(-c3cccc4cnc(Nc5ccc(S(N)(=O)=O)cc5)nc34)cn2)CC1
InChIInChI=1S/C26H29N7O2S/c1-18(2)32-12-14-33(15-13-32)24-11-6-19(16-28-24)23-5-3-4-20-17-29-26(31-25(20)23)30-21-7-9-22(10-8-21)36(27,34)35/h3-11,16-18H,12-15H2,1-2H3,(H2,27,34,35)(H,29,30,31)
InChIKeyCAAOCJPTKQXXGX-UHFFFAOYSA-N
XLogP3.61
TPSA117.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.63
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[8-[6-(4-propan-2-ylpiperazin-1-yl)-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-[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67101863
4-[[8-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67101662
4-[[8-[5-[(4-acetylpiperazin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67101985
4-[[8-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67102048
N,8-bis(4-methylsulfonylphenyl)quinazolin-2-amine
CID 175553544
4-[[8-[6-[[(2S)-1-ethylpyrrolidin-2-yl]-methylamino]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67103476
N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 175733112
4-[[8-(morpholin-4-ylmethyl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67101719
2-[4-[methyl(sulfino)amino]anilino]-8-[4-[methyl(sulfino)amino]phenyl]quinazoline
CID 175196266
4-[[8-[2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]acetyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 123140037
4-[[8-[(2-pyrrolidin-1-ylethylamino)methyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67102122
N-[3-[2-[(6-piperazin-1-yl-3-pyridinyl)amino]quinazolin-8-yl]phenyl]prop-2-ynamide
CID 118163087

Frequently Asked Questions

What is the IUPAC name of 4-[[8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide (CID 67102419) is 4-[[8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide is CC(C)N1CCN(c2ccc(-c3cccc4cnc(Nc5ccc(S(N)(=O)=O)cc5)nc34)cn2)CC1.
What is the InChIKey of 4-[[8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide?
The InChIKey is CAAOCJPTKQXXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2S/c1-18(2)32-12-14-33(15-13-32)24-11-6-19(16-28-24)23-5-3-4-20-17-29-26(31-25(20)23)30-21-7-9-22(10-8-21)36(27,34)35/h3-11,16-18H,12-15H2,1-2H3,(H2,27,34,35)(H,29,30,31).
What are the key properties of 4-[[8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide?
4-[[8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide has a molecular weight of 503.63 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 67102419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).