1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-(cyclobutylmethyl)-4-N-methylcyclohexane-1,4-diamine;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;cyclobutanecarbaldehyde;methane

C71H88Cl2N10O5S2 — CID 158783338

About 1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-(cyclobutylmethyl)-4-N-methylcyclohexane-1,4-diamine;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;cyclobutanecarbaldehyde;methane

1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-(cyclobutylmethyl)-4-N-methylcyclohexane-1,4-diamine;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;cyclobutanecarbaldehyde;methane (PubChem CID 158783338) has the molecular formula C71H88Cl2N10O5S2 and a molecular weight of 1296.59 g/mol. Its IUPAC name is 1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-(cyclobutylmethyl)-4-N-methylcyclohexane-1,4-diamine;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;cyclobutanecarbaldehyde;methane.

Molecular Properties

• Compound Name: 1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-(cyclobutylmethyl)-4-N-methylcyclohexane-1,4-diamine;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;cyclobutanecarbaldehyde;methane
• PubChem CID: 158783338
• Molecular Formula: C71H88Cl2N10O5S2
• Molecular Weight: 1296.59 g/mol
• Exact Mass: 1294.58
• IUPAC Name: 1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-(cyclobutylmethyl)-4-N-methylcyclohexane-1,4-diamine;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;cyclobutanecarbaldehyde;methane
• SMILES: C.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(NC3CCC(N(C)CC4CCC4)CC3)nc12.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(NC3CCC(NC)CC3)nc12.O=CC1CCC1
• InChI: InChI=1S/C35H42ClN5O2S.C30H34ClN5O2S.C5H8O.CH4/c1-4-25-18-26(31-17-14-29(38-23(31)2)22-44(42,43)33-11-6-5-10-32(33)36)19-27-20-37-35(40-34(25)27)39-28-12-15-30(16-13-28)41(3)21-24-8-7-9-24;1-4-20-15-21(16-22-17-33-30(36-29(20)22)35-24-11-9-23(32-3)10-12-24)26-14-13-25(34-19(26)2)18-39(37,38)28-8-6-5-7-27(28)31;6-4-5-2-1-3-5;/h5-6,10-11,14,17-20,24,28,30H,4,7-9,12-13,15-16,21-22H2,1-3H3,(H,37,39,40);5-8,13-17,23-24,32H,4,9-12,18H2,1-3H3,(H,33,35,36);4-5H,1-3H2;1H4
• InChIKey: IRJANWJOFXSLDO-UHFFFAOYSA-N
• XLogP: 15.40
• TPSA: 202.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 19
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1296.59
LogP ≤ 5	15.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-(cyclobutylmethyl)-4-N-methylcyclohexane-1,4-diamine;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;cyclobutanecarbaldehyde;methane?

The IUPAC name of 1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-(cyclobutylmethyl)-4-N-methylcyclohexane-1,4-diamine;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;cyclobutanecarbaldehyde;methane (CID 158783338) is 1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-(cyclobutylmethyl)-4-N-methylcyclohexane-1,4-diamine;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;cyclobutanecarbaldehyde;methane.

What is the SMILES notation for 1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-(cyclobutylmethyl)-4-N-methylcyclohexane-1,4-diamine;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;cyclobutanecarbaldehyde;methane?

The canonical SMILES for 1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-(cyclobutylmethyl)-4-N-methylcyclohexane-1,4-diamine;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;cyclobutanecarbaldehyde;methane is C.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(NC3CCC(N(C)CC4CCC4)CC3)nc12.CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(NC3CCC(NC)CC3)nc12.O=CC1CCC1.

What is the InChIKey of 1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-(cyclobutylmethyl)-4-N-methylcyclohexane-1,4-diamine;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;cyclobutanecarbaldehyde;methane?

The InChIKey is IRJANWJOFXSLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42ClN5O2S.C30H34ClN5O2S.C5H8O.CH4/c1-4-25-18-26(31-17-14-29(38-23(31)2)22-44(42,43)33-11-6-5-10-32(33)36)19-27-20-37-35(40-34(25)27)39-28-12-15-30(16-13-28)41(3)21-24-8-7-9-24;1-4-20-15-21(16-22-17-33-30(36-29(20)22)35-24-11-9-23(32-3)10-12-24)26-14-13-25(34-19(26)2)18-39(37,38)28-8-6-5-7-27(28)31;6-4-5-2-1-3-5;/h5-6,10-11,14,17-20,24,28,30H,4,7-9,12-13,15-16,21-22H2,1-3H3,(H,37,39,40);5-8,13-17,23-24,32H,4,9-12,18H2,1-3H3,(H,33,35,36);4-5H,1-3H2;1H4.

What are the key properties of 1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-(cyclobutylmethyl)-4-N-methylcyclohexane-1,4-diamine;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;cyclobutanecarbaldehyde;methane?

1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-(cyclobutylmethyl)-4-N-methylcyclohexane-1,4-diamine;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;cyclobutanecarbaldehyde;methane has a molecular weight of 1296.59 g/mol, XLogP of 15.40, 19 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-4-N-(cyclobutylmethyl)-4-N-methylcyclohexane-1,4-diamine;4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-1-N-methylcyclohexane-1,4-diamine;cyclobutanecarbaldehyde;methane is sourced from PubChem (CID 158783338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).