2-chloro-N-[6-ethyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-2-pyridinyl]benzenesulfonamide;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-ethyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-methylbicyclo[2.2.2]octan-1-amine;N,N,4-trimethylbicyclo[2.2.2]octan-1-amine

C87H118Cl2FN13O4S2 — CID 160696902

About 2-chloro-N-[6-ethyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-2-pyridinyl]benzenesulfonamide;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-ethyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-methylbicyclo[2.2.2]octan-1-amine;N,N,4-trimethylbicyclo[2.2.2]octan-1-amine

2-chloro-N-[6-ethyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-2-pyridinyl]benzenesulfonamide;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-ethyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-methylbicyclo[2.2.2]octan-1-amine;N,N,4-trimethylbicyclo[2.2.2]octan-1-amine (PubChem CID 160696902) has the molecular formula C87H118Cl2FN13O4S2 and a molecular weight of 1564.03 g/mol. Its IUPAC name is 2-chloro-N-[6-ethyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-2-pyridinyl]benzenesulfonamide;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-ethyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-methylbicyclo[2.2.2]octan-1-amine;N,N,4-trimethylbicyclo[2.2.2]octan-1-amine.

Molecular Properties

• Compound Name: 2-chloro-N-[6-ethyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-2-pyridinyl]benzenesulfonamide;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-ethyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-methylbicyclo[2.2.2]octan-1-amine;N,N,4-trimethylbicyclo[2.2.2]octan-1-amine
• PubChem CID: 160696902
• Molecular Formula: C87H118Cl2FN13O4S2
• Molecular Weight: 1564.03 g/mol
• Exact Mass: 1561.82
• IUPAC Name: 2-chloro-N-[6-ethyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-2-pyridinyl]benzenesulfonamide;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-ethyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-methylbicyclo[2.2.2]octan-1-amine;N,N,4-trimethylbicyclo[2.2.2]octan-1-amine
• SMILES: CC12CCC(N)(CC1)CC2.CCc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1-c1cc(CC)c2nc(NC34CCC(N(C)C)(CC3)CC4)ncc2c1.CCc1nc(NS(=O)(=O)c2ccccc2Cl)ccc1-c1cc(CC)c2nc(F)ncc2c1.CN(C)C12CCC(C)(CC1)CC2.CN(C)C12CCC(N)(CC1)CC2
• InChI: InChI=1S/C34H40ClN5O2S.C23H20ClFN4O2S.C11H21N.C10H20N2.C9H17N/c1-5-23-19-24(27-12-11-26(37-29(27)6-2)22-43(41,42)30-10-8-7-9-28(30)35)20-25-21-36-32(38-31(23)25)39-33-13-16-34(17-14-33,18-15-33)40(3)4;1-3-14-11-15(12-16-13-26-23(25)28-22(14)16)17-9-10-21(27-19(17)4-2)29-32(30,31)20-8-6-5-7-18(20)24;1-10-4-7-11(8-5-10,9-6-10)12(2)3;1-12(2)10-6-3-9(11,4-7-10)5-8-10;1-8-2-5-9(10,6-3-8)7-4-8/h7-12,19-21H,5-6,13-18,22H2,1-4H3,(H,36,38,39);5-13H,3-4H2,1-2H3,(H,27,29);4-9H2,1-3H3;3-8,11H2,1-2H3;2-7,10H2,1H3
• InChIKey: RQCOVUQOEMSUNR-UHFFFAOYSA-N
• XLogP: 18.74
• TPSA: 231.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1564.03
LogP ≤ 5	18.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-ethyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-2-pyridinyl]benzenesulfonamide;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-ethyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-methylbicyclo[2.2.2]octan-1-amine;N,N,4-trimethylbicyclo[2.2.2]octan-1-amine?

The IUPAC name of 2-chloro-N-[6-ethyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-2-pyridinyl]benzenesulfonamide;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-ethyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-methylbicyclo[2.2.2]octan-1-amine;N,N,4-trimethylbicyclo[2.2.2]octan-1-amine (CID 160696902) is 2-chloro-N-[6-ethyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-2-pyridinyl]benzenesulfonamide;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-ethyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-methylbicyclo[2.2.2]octan-1-amine;N,N,4-trimethylbicyclo[2.2.2]octan-1-amine.

What is the SMILES notation for 2-chloro-N-[6-ethyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-2-pyridinyl]benzenesulfonamide;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-ethyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-methylbicyclo[2.2.2]octan-1-amine;N,N,4-trimethylbicyclo[2.2.2]octan-1-amine?

The canonical SMILES for 2-chloro-N-[6-ethyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-2-pyridinyl]benzenesulfonamide;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-ethyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-methylbicyclo[2.2.2]octan-1-amine;N,N,4-trimethylbicyclo[2.2.2]octan-1-amine is CC12CCC(N)(CC1)CC2.CCc1nc(CS(=O)(=O)c2ccccc2Cl)ccc1-c1cc(CC)c2nc(NC34CCC(N(C)C)(CC3)CC4)ncc2c1.CCc1nc(NS(=O)(=O)c2ccccc2Cl)ccc1-c1cc(CC)c2nc(F)ncc2c1.CN(C)C12CCC(C)(CC1)CC2.CN(C)C12CCC(N)(CC1)CC2.

What is the InChIKey of 2-chloro-N-[6-ethyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-2-pyridinyl]benzenesulfonamide;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-ethyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-methylbicyclo[2.2.2]octan-1-amine;N,N,4-trimethylbicyclo[2.2.2]octan-1-amine?

The InChIKey is RQCOVUQOEMSUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40ClN5O2S.C23H20ClFN4O2S.C11H21N.C10H20N2.C9H17N/c1-5-23-19-24(27-12-11-26(37-29(27)6-2)22-43(41,42)30-10-8-7-9-28(30)35)20-25-21-36-32(38-31(23)25)39-33-13-16-34(17-14-33,18-15-33)40(3)4;1-3-14-11-15(12-16-13-26-23(25)28-22(14)16)17-9-10-21(27-19(17)4-2)29-32(30,31)20-8-6-5-7-18(20)24;1-10-4-7-11(8-5-10,9-6-10)12(2)3;1-12(2)10-6-3-9(11,4-7-10)5-8-10;1-8-2-5-9(10,6-3-8)7-4-8/h7-12,19-21H,5-6,13-18,22H2,1-4H3,(H,36,38,39);5-13H,3-4H2,1-2H3,(H,27,29);4-9H2,1-3H3;3-8,11H2,1-2H3;2-7,10H2,1H3.

What are the key properties of 2-chloro-N-[6-ethyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-2-pyridinyl]benzenesulfonamide;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-ethyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-methylbicyclo[2.2.2]octan-1-amine;N,N,4-trimethylbicyclo[2.2.2]octan-1-amine?

2-chloro-N-[6-ethyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-2-pyridinyl]benzenesulfonamide;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-ethyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-methylbicyclo[2.2.2]octan-1-amine;N,N,4-trimethylbicyclo[2.2.2]octan-1-amine has a molecular weight of 1564.03 g/mol, XLogP of 18.74, 17 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[6-ethyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-2-pyridinyl]benzenesulfonamide;1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-ethyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-N,4-N-dimethylbicyclo[2.2.2]octane-1,4-diamine;4-methylbicyclo[2.2.2]octan-1-amine;N,N,4-trimethylbicyclo[2.2.2]octan-1-amine is sourced from PubChem (CID 160696902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).