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

C26H29N7O2S — CID 67101863

IUPAC4-[[8-[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
SMILESCN1CCC(CNc2ccc(-c3cccc4cnc(Nc5ccc(S(N)(=O)=O)cc5)nc34)cn2)CC1
InChIInChI=1S/C26H29N7O2S/c1-33-13-11-18(12-14-33)15-28-24-10-5-19(16-29-24)23-4-2-3-20-17-30-26(32-25(20)23)31-21-6-8-22(9-7-21)36(27,34)35/h2-10,16-18H,11-15H2,1H3,(H,28,29)(H2,27,34,35)(H,30,31,32)
InChIKeyBNGBAAHILWJVQD-UHFFFAOYSA-N
MW503.63 g/mol
LogP3.84
Rot. Bonds7

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

4-[[8-[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide (PubChem CID 67101863) has the molecular formula C26H29N7O2S and a molecular weight of 503.63 g/mol. Its IUPAC name is 4-[[8-[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[8-[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
PubChem CID67101863
Molecular FormulaC26H29N7O2S
Molecular Weight503.63 g/mol
Exact Mass503.21
IUPAC Name4-[[8-[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
SMILESCN1CCC(CNc2ccc(-c3cccc4cnc(Nc5ccc(S(N)(=O)=O)cc5)nc34)cn2)CC1
InChIInChI=1S/C26H29N7O2S/c1-33-13-11-18(12-14-33)15-28-24-10-5-19(16-29-24)23-4-2-3-20-17-30-26(32-25(20)23)31-21-6-8-22(9-7-21)36(27,34)35/h2-10,16-18H,11-15H2,1H3,(H,28,29)(H2,27,34,35)(H,30,31,32)
InChIKeyBNGBAAHILWJVQD-UHFFFAOYSA-N
XLogP3.84
TPSA126.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.63
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[8-[6-[(1-methylpiperidin-4-yl)methylamino]-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-[[(2S)-1-ethylpyrrolidin-2-yl]-methylamino]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67103476
4-[[8-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67102419
4-[[6-chloro-8-[6-(2-pyrrolidin-1-ylethylamino)-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67102239
4-[[8-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67102048
4-[[6-fluoro-8-[6-(2-methoxyethylamino)-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67102220
4-[[8-[5-[(4-acetylpiperazin-1-yl)methyl]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67101985
N,8-bis(4-methylsulfonylphenyl)quinazolin-2-amine
CID 175553544
4-[[8-[2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]acetyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 123140037
4-[[8-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]quinazolin-2-yl]amino]benzenesulfonamide
CID 67101621
4-[[8-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]quinazolin-2-yl]amino]benzenesulfonamide
CID 67102137
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-(4-sulfamoylanilino)quinazoline-8-carboxamide
CID 67102077
N-[3-[2-[4-[[(3S)-1-methylpyrrolidin-3-yl]methyl]anilino]quinazolin-8-yl]phenyl]prop-2-enamide
CID 152847029

Frequently Asked Questions

What is the IUPAC name of 4-[[8-[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[8-[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide (CID 67101863) is 4-[[8-[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[8-[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[8-[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide is CN1CCC(CNc2ccc(-c3cccc4cnc(Nc5ccc(S(N)(=O)=O)cc5)nc34)cn2)CC1.
What is the InChIKey of 4-[[8-[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide?
The InChIKey is BNGBAAHILWJVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2S/c1-33-13-11-18(12-14-33)15-28-24-10-5-19(16-29-24)23-4-2-3-20-17-30-26(32-25(20)23)31-21-6-8-22(9-7-21)36(27,34)35/h2-10,16-18H,11-15H2,1H3,(H,28,29)(H2,27,34,35)(H,30,31,32).
What are the key properties of 4-[[8-[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide?
4-[[8-[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide has a molecular weight of 503.63 g/mol, XLogP of 3.84, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]quinazolin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 67101863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).