N-tert-butyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-tert-butyl-4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;(4-methylpiperazin-1-yl)-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone;(4-methylpiperazin-1-yl)-[4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone

C124H118N22O6S2 — CID 158366197

IUPACN-tert-butyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-tert-butyl-4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;(4-methylpiperazin-1-yl)-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone;(4-methylpiperazin-1-yl)-[4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone
SMILESCC(C)(C)NS(=O)(=O)c1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cc1.CC(C)(C)NS(=O)(=O)c1cccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1.CN1CCN(C(=O)c2ccc(-c3nc(NCc4ccccn4)c4c(-c5ccccc5)cccc4n3)cc2)CC1.CN1CCN(C(=O)c2cccc(-c3nc(NCc4ccccn4)c4c(-c5ccccc5)cccc4n3)c2)CC1
InChIInChI=1S/2C32H30N6O.2C30H29N5O2S/c1-37-17-19-38(20-18-37)32(39)25-12-7-11-24(21-25)30-35-28-15-8-14-27(23-9-3-2-4-10-23)29(28)31(36-30)34-22-26-13-5-6-16-33-26;1-37-18-20-38(21-19-37)32(39)25-15-13-24(14-16-25)30-35-28-12-7-11-27(23-8-3-2-4-9-23)29(28)31(36-30)34-22-26-10-5-6-17-33-26;1-30(2,3)35-38(36,37)24-15-9-13-22(19-24)28-33-26-17-10-16-25(21-11-5-4-6-12-21)27(26)29(34-28)32-20-23-14-7-8-18-31-23;1-30(2,3)35-38(36,37)24-17-15-22(16-18-24)28-33-26-14-9-13-25(21-10-5-4-6-11-21)27(26)29(34-28)32-20-23-12-7-8-19-31-23/h2-16,21H,17-20,22H2,1H3,(H,34,35,36);2-17H,18-22H2,1H3,(H,34,35,36);2*4-19,35H,20H2,1-3H3,(H,32,33,34)
InChIKeyGUBFAVCGZDFUSU-UHFFFAOYSA-N
MW2076.59 g/mol
LogP22.81
Rot. Bonds26

About N-tert-butyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-tert-butyl-4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;(4-methylpiperazin-1-yl)-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone;(4-methylpiperazin-1-yl)-[4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone

N-tert-butyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-tert-butyl-4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;(4-methylpiperazin-1-yl)-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone;(4-methylpiperazin-1-yl)-[4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone (PubChem CID 158366197) has the molecular formula C124H118N22O6S2 and a molecular weight of 2076.59 g/mol. Its IUPAC name is N-tert-butyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-tert-butyl-4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;(4-methylpiperazin-1-yl)-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone;(4-methylpiperazin-1-yl)-[4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone.

Molecular Properties

Compound NameN-tert-butyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-tert-butyl-4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;(4-methylpiperazin-1-yl)-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone;(4-methylpiperazin-1-yl)-[4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone
PubChem CID158366197
Molecular FormulaC124H118N22O6S2
Molecular Weight2076.59 g/mol
Exact Mass2074.90
IUPAC NameN-tert-butyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-tert-butyl-4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;(4-methylpiperazin-1-yl)-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone;(4-methylpiperazin-1-yl)-[4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone
SMILESCC(C)(C)NS(=O)(=O)c1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cc1.CC(C)(C)NS(=O)(=O)c1cccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1.CN1CCN(C(=O)c2ccc(-c3nc(NCc4ccccn4)c4c(-c5ccccc5)cccc4n3)cc2)CC1.CN1CCN(C(=O)c2cccc(-c3nc(NCc4ccccn4)c4c(-c5ccccc5)cccc4n3)c2)CC1
InChIInChI=1S/2C32H30N6O.2C30H29N5O2S/c1-37-17-19-38(20-18-37)32(39)25-12-7-11-24(21-25)30-35-28-15-8-14-27(23-9-3-2-4-10-23)29(28)31(36-30)34-22-26-13-5-6-16-33-26;1-37-18-20-38(21-19-37)32(39)25-15-13-24(14-16-25)30-35-28-12-7-11-27(23-8-3-2-4-9-23)29(28)31(36-30)34-22-26-10-5-6-17-33-26;1-30(2,3)35-38(36,37)24-15-9-13-22(19-24)28-33-26-17-10-16-25(21-11-5-4-6-12-21)27(26)29(34-28)32-20-23-14-7-8-18-31-23;1-30(2,3)35-38(36,37)24-17-15-22(16-18-24)28-33-26-14-9-13-25(21-10-5-4-6-11-21)27(26)29(34-28)32-20-23-12-7-8-19-31-23/h2-16,21H,17-20,22H2,1H3,(H,34,35,36);2-17H,18-22H2,1H3,(H,34,35,36);2*4-19,35H,20H2,1-3H3,(H,32,33,34)
InChIKeyGUBFAVCGZDFUSU-UHFFFAOYSA-N
XLogP22.81
TPSA342.24 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002076.59
LogP ≤ 522.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze N-tert-butyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-tert-butyl-4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;(4-methylpiperazin-1-yl)-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone;(4-methylpiperazin-1-yl)-[4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone with MolForge

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Related Compounds

4-[2-(dibutylamino)pyrimidin-4-yl]-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(7-iodonaphthalen-2-yl)sulfonylbenzamide
CID 70685853
4-[2-(dibutylamino)pyrimidin-4-yl]-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-naphthalen-2-ylsulfonylbenzamide
CID 70687971
(S)-3-(3-(Aminomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-4-(2-(dibutylamino)pyrimidin-4-yl)-N-(naphthalen-2-ylsulfonyl)benzamide
CID 70690001
4-[2-(dibutylamino)-5-methylpyrimidin-4-yl]-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-naphthalen-2-ylsulfonylbenzamide
CID 70694215
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-[2-(dipropylamino)pyrimidin-4-yl]-N-naphthalen-2-ylsulfonylbenzamide
CID 70696317
4-[(6-amino-1-methylquinazolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;bis(4-methylbenzenesulfonate)
CID 90669915
US8653087, III-344
CID 68036109
N-[4-(2,4-diamino-1-methylpyrimidin-1-ium-5-yl)phenyl]-4-[(1-methylquinolin-1-ium-4-yl)amino]benzamide;bis(4-methylbenzenesulfonate)
CID 90669897
2-amino-4-[(6-amino-1-methylquinolin-1-ium-4-yl)amino]-N-[4-(2,4-diamino-1-methylpyrimidin-1-ium-5-yl)phenyl]benzamide;bis(4-methylbenzenesulfonate)
CID 90669899
9-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-2-carboxamide
CID 385749
2-amino-4-[(6-amino-1-ethylquinolin-1-ium-4-yl)amino]-N-[4-(2,4-diamino-1-ethylpyrimidin-1-ium-5-yl)phenyl]benzamide;bis(4-methylbenzenesulfonate)
CID 90669900
2-amino-4-[(6-amino-1-propylquinolin-1-ium-4-yl)amino]-N-[4-(2,4-diamino-1-propylpyrimidin-1-ium-5-yl)phenyl]benzamide;bis(4-methylbenzenesulfonate)
CID 90669901

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-tert-butyl-4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;(4-methylpiperazin-1-yl)-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone;(4-methylpiperazin-1-yl)-[4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone?
The IUPAC name of N-tert-butyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-tert-butyl-4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;(4-methylpiperazin-1-yl)-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone;(4-methylpiperazin-1-yl)-[4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone (CID 158366197) is N-tert-butyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-tert-butyl-4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;(4-methylpiperazin-1-yl)-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone;(4-methylpiperazin-1-yl)-[4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone.
What is the SMILES notation for N-tert-butyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-tert-butyl-4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;(4-methylpiperazin-1-yl)-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone;(4-methylpiperazin-1-yl)-[4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone?
The canonical SMILES for N-tert-butyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-tert-butyl-4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;(4-methylpiperazin-1-yl)-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone;(4-methylpiperazin-1-yl)-[4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone is CC(C)(C)NS(=O)(=O)c1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cc1.CC(C)(C)NS(=O)(=O)c1cccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1.CN1CCN(C(=O)c2ccc(-c3nc(NCc4ccccn4)c4c(-c5ccccc5)cccc4n3)cc2)CC1.CN1CCN(C(=O)c2cccc(-c3nc(NCc4ccccn4)c4c(-c5ccccc5)cccc4n3)c2)CC1.
What is the InChIKey of N-tert-butyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-tert-butyl-4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;(4-methylpiperazin-1-yl)-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone;(4-methylpiperazin-1-yl)-[4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone?
The InChIKey is GUBFAVCGZDFUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H30N6O.2C30H29N5O2S/c1-37-17-19-38(20-18-37)32(39)25-12-7-11-24(21-25)30-35-28-15-8-14-27(23-9-3-2-4-10-23)29(28)31(36-30)34-22-26-13-5-6-16-33-26;1-37-18-20-38(21-19-37)32(39)25-15-13-24(14-16-25)30-35-28-12-7-11-27(23-8-3-2-4-9-23)29(28)31(36-30)34-22-26-10-5-6-17-33-26;1-30(2,3)35-38(36,37)24-15-9-13-22(19-24)28-33-26-17-10-16-25(21-11-5-4-6-12-21)27(26)29(34-28)32-20-23-14-7-8-18-31-23;1-30(2,3)35-38(36,37)24-17-15-22(16-18-24)28-33-26-14-9-13-25(21-10-5-4-6-11-21)27(26)29(34-28)32-20-23-12-7-8-19-31-23/h2-16,21H,17-20,22H2,1H3,(H,34,35,36);2-17H,18-22H2,1H3,(H,34,35,36);2*4-19,35H,20H2,1-3H3,(H,32,33,34).
What are the key properties of N-tert-butyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-tert-butyl-4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;(4-methylpiperazin-1-yl)-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone;(4-methylpiperazin-1-yl)-[4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone?
N-tert-butyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-tert-butyl-4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;(4-methylpiperazin-1-yl)-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone;(4-methylpiperazin-1-yl)-[4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone has a molecular weight of 2076.59 g/mol, XLogP of 22.81, 26 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-tert-butyl-4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;(4-methylpiperazin-1-yl)-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone;(4-methylpiperazin-1-yl)-[4-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]phenyl]methanone is sourced from PubChem (CID 158366197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).