N-(2-hydroxyethyl)-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-[(6-methoxy-2-pyridinyl)methyl]-2-(5-methylsulfonyl-3-pyridinyl)-5-phenylquinazolin-4-amine;bis(2-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzamide)

C111H94N20O8S2 — CID 157122625

IUPACN-(2-hydroxyethyl)-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-[(6-methoxy-2-pyridinyl)methyl]-2-(5-methylsulfonyl-3-pyridinyl)-5-phenylquinazolin-4-amine;bis(2-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzamide)
SMILESCOc1cccc(CNc2nc(-c3cncc(S(C)(=O)=O)c3)nc3cccc(-c4ccccc4)c23)n1.Cc1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cc1C(N)=O.Cc1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cc1C(N)=O.O=S(=O)(NCCO)c1cccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1
InChIInChI=1S/C28H25N5O3S.2C28H23N5O.C27H23N5O3S/c34-17-16-31-37(35,36)23-12-6-10-21(18-23)27-32-25-14-7-13-24(20-8-2-1-3-9-20)26(25)28(33-27)30-19-22-11-4-5-15-29-22;2*1-18-13-14-20(16-23(18)26(29)34)27-32-24-12-7-11-22(19-8-3-2-4-9-19)25(24)28(33-27)31-17-21-10-5-6-15-30-21;1-35-24-13-6-10-20(30-24)16-29-27-25-22(18-8-4-3-5-9-18)11-7-12-23(25)31-26(32-27)19-14-21(17-28-15-19)36(2,33)34/h1-15,18,31,34H,16-17,19H2,(H,30,32,33);2*2-16H,17H2,1H3,(H2,29,34)(H,31,32,33);3-15,17H,16H2,1-2H3,(H,29,31,32)
InChIKeyAIDOZLRTFJJRPB-UHFFFAOYSA-N
MW1900.24 g/mol
LogP19.78
Rot. Bonds28

About N-(2-hydroxyethyl)-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-[(6-methoxy-2-pyridinyl)methyl]-2-(5-methylsulfonyl-3-pyridinyl)-5-phenylquinazolin-4-amine;bis(2-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzamide)

N-(2-hydroxyethyl)-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-[(6-methoxy-2-pyridinyl)methyl]-2-(5-methylsulfonyl-3-pyridinyl)-5-phenylquinazolin-4-amine;bis(2-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzamide) (PubChem CID 157122625) has the molecular formula C111H94N20O8S2 and a molecular weight of 1900.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-[(6-methoxy-2-pyridinyl)methyl]-2-(5-methylsulfonyl-3-pyridinyl)-5-phenylquinazolin-4-amine;bis(2-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzamide).

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-[(6-methoxy-2-pyridinyl)methyl]-2-(5-methylsulfonyl-3-pyridinyl)-5-phenylquinazolin-4-amine;bis(2-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzamide)
PubChem CID157122625
Molecular FormulaC111H94N20O8S2
Molecular Weight1900.24 g/mol
Exact Mass1898.70
IUPAC NameN-(2-hydroxyethyl)-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-[(6-methoxy-2-pyridinyl)methyl]-2-(5-methylsulfonyl-3-pyridinyl)-5-phenylquinazolin-4-amine;bis(2-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzamide)
SMILESCOc1cccc(CNc2nc(-c3cncc(S(C)(=O)=O)c3)nc3cccc(-c4ccccc4)c23)n1.Cc1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cc1C(N)=O.Cc1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cc1C(N)=O.O=S(=O)(NCCO)c1cccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1
InChIInChI=1S/C28H25N5O3S.2C28H23N5O.C27H23N5O3S/c34-17-16-31-37(35,36)23-12-6-10-21(18-23)27-32-25-14-7-13-24(20-8-2-1-3-9-20)26(25)28(33-27)30-19-22-11-4-5-15-29-22;2*1-18-13-14-20(16-23(18)26(29)34)27-32-24-12-7-11-22(19-8-3-2-4-9-19)25(24)28(33-27)31-17-21-10-5-6-15-30-21;1-35-24-13-6-10-20(30-24)16-29-27-25-22(18-8-4-3-5-9-18)11-7-12-23(25)31-26(32-27)19-14-21(17-28-15-19)36(2,33)34/h1-15,18,31,34H,16-17,19H2,(H,30,32,33);2*2-16H,17H2,1H3,(H2,29,34)(H,31,32,33);3-15,17H,16H2,1-2H3,(H,29,31,32)
InChIKeyAIDOZLRTFJJRPB-UHFFFAOYSA-N
XLogP19.78
TPSA411.64 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds28
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001900.24
LogP ≤ 519.78
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze N-(2-hydroxyethyl)-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-[(6-methoxy-2-pyridinyl)methyl]-2-(5-methylsulfonyl-3-pyridinyl)-5-phenylquinazolin-4-amine;bis(2-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzamide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-[(6-methoxy-2-pyridinyl)methyl]-2-(5-methylsulfonyl-3-pyridinyl)-5-phenylquinazolin-4-amine;bis(2-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzamide)?
The IUPAC name of N-(2-hydroxyethyl)-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-[(6-methoxy-2-pyridinyl)methyl]-2-(5-methylsulfonyl-3-pyridinyl)-5-phenylquinazolin-4-amine;bis(2-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzamide) (CID 157122625) is N-(2-hydroxyethyl)-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-[(6-methoxy-2-pyridinyl)methyl]-2-(5-methylsulfonyl-3-pyridinyl)-5-phenylquinazolin-4-amine;bis(2-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzamide).
What is the SMILES notation for N-(2-hydroxyethyl)-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-[(6-methoxy-2-pyridinyl)methyl]-2-(5-methylsulfonyl-3-pyridinyl)-5-phenylquinazolin-4-amine;bis(2-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzamide)?
The canonical SMILES for N-(2-hydroxyethyl)-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-[(6-methoxy-2-pyridinyl)methyl]-2-(5-methylsulfonyl-3-pyridinyl)-5-phenylquinazolin-4-amine;bis(2-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzamide) is COc1cccc(CNc2nc(-c3cncc(S(C)(=O)=O)c3)nc3cccc(-c4ccccc4)c23)n1.Cc1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cc1C(N)=O.Cc1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cc1C(N)=O.O=S(=O)(NCCO)c1cccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-[(6-methoxy-2-pyridinyl)methyl]-2-(5-methylsulfonyl-3-pyridinyl)-5-phenylquinazolin-4-amine;bis(2-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzamide)?
The InChIKey is AIDOZLRTFJJRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O3S.2C28H23N5O.C27H23N5O3S/c34-17-16-31-37(35,36)23-12-6-10-21(18-23)27-32-25-14-7-13-24(20-8-2-1-3-9-20)26(25)28(33-27)30-19-22-11-4-5-15-29-22;2*1-18-13-14-20(16-23(18)26(29)34)27-32-24-12-7-11-22(19-8-3-2-4-9-19)25(24)28(33-27)31-17-21-10-5-6-15-30-21;1-35-24-13-6-10-20(30-24)16-29-27-25-22(18-8-4-3-5-9-18)11-7-12-23(25)31-26(32-27)19-14-21(17-28-15-19)36(2,33)34/h1-15,18,31,34H,16-17,19H2,(H,30,32,33);2*2-16H,17H2,1H3,(H2,29,34)(H,31,32,33);3-15,17H,16H2,1-2H3,(H,29,31,32).
What are the key properties of N-(2-hydroxyethyl)-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-[(6-methoxy-2-pyridinyl)methyl]-2-(5-methylsulfonyl-3-pyridinyl)-5-phenylquinazolin-4-amine;bis(2-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzamide)?
N-(2-hydroxyethyl)-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-[(6-methoxy-2-pyridinyl)methyl]-2-(5-methylsulfonyl-3-pyridinyl)-5-phenylquinazolin-4-amine;bis(2-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzamide) has a molecular weight of 1900.24 g/mol, XLogP of 19.78, 28 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzenesulfonamide;N-[(6-methoxy-2-pyridinyl)methyl]-2-(5-methylsulfonyl-3-pyridinyl)-5-phenylquinazolin-4-amine;bis(2-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]benzamide) is sourced from PubChem (CID 157122625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).