4-[4-(amino-methylidene-oxo-λ6-sulfanyl)-1,4-diazepan-1-yl]-6,7-dimethylquinazoline;N-(amino-methylidene-oxo-λ6-sulfanyl)-1-(6,7-dimethylquinazolin-4-yl)azepan-4-amine;4-(6,7-dimethylquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;3-ethynyl-6,7-dimethyl-4-[4-(sulfamoylamino)azepan-1-yl]quinoline;methane

C68H95F2N19O6S4 — CID 158092217

About 4-[4-(amino-methylidene-oxo-λ6-sulfanyl)-1,4-diazepan-1-yl]-6,7-dimethylquinazoline;N-(amino-methylidene-oxo-λ6-sulfanyl)-1-(6,7-dimethylquinazolin-4-yl)azepan-4-amine;4-(6,7-dimethylquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;3-ethynyl-6,7-dimethyl-4-[4-(sulfamoylamino)azepan-1-yl]quinoline;methane

4-[4-(amino-methylidene-oxo-λ6-sulfanyl)-1,4-diazepan-1-yl]-6,7-dimethylquinazoline;N-(amino-methylidene-oxo-λ6-sulfanyl)-1-(6,7-dimethylquinazolin-4-yl)azepan-4-amine;4-(6,7-dimethylquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;3-ethynyl-6,7-dimethyl-4-[4-(sulfamoylamino)azepan-1-yl]quinoline;methane (PubChem CID 158092217) has the molecular formula C68H95F2N19O6S4 and a molecular weight of 1440.90 g/mol. Its IUPAC name is 4-[4-(amino-methylidene-oxo-λ6-sulfanyl)-1,4-diazepan-1-yl]-6,7-dimethylquinazoline;N-(amino-methylidene-oxo-λ6-sulfanyl)-1-(6,7-dimethylquinazolin-4-yl)azepan-4-amine;4-(6,7-dimethylquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;3-ethynyl-6,7-dimethyl-4-[4-(sulfamoylamino)azepan-1-yl]quinoline;methane.

Molecular Properties

• Compound Name: 4-[4-(amino-methylidene-oxo-λ6-sulfanyl)-1,4-diazepan-1-yl]-6,7-dimethylquinazoline;N-(amino-methylidene-oxo-λ6-sulfanyl)-1-(6,7-dimethylquinazolin-4-yl)azepan-4-amine;4-(6,7-dimethylquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;3-ethynyl-6,7-dimethyl-4-[4-(sulfamoylamino)azepan-1-yl]quinoline;methane
• PubChem CID: 158092217
• Molecular Formula: C68H95F2N19O6S4
• Molecular Weight: 1440.90 g/mol
• Exact Mass: 1439.66
• IUPAC Name: 4-[4-(amino-methylidene-oxo-λ6-sulfanyl)-1,4-diazepan-1-yl]-6,7-dimethylquinazoline;N-(amino-methylidene-oxo-λ6-sulfanyl)-1-(6,7-dimethylquinazolin-4-yl)azepan-4-amine;4-(6,7-dimethylquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;3-ethynyl-6,7-dimethyl-4-[4-(sulfamoylamino)azepan-1-yl]quinoline;methane
• SMILES: C.C#Cc1cnc2cc(C)c(C)cc2c1N1CCCC(NS(N)(=O)=O)CC1.C=S(N)(=O)N1CCCN(c2ncnc3cc(C)c(C)cc23)CC1.C=S(N)(=O)NC1CCCN(c2ncnc3cc(C)c(C)cc23)CC1.Cc1cc2ncnc(N3CCN(S(N)(=O)=O)CC(F)(F)C3)c2cc1C
• InChI: InChI=1S/C19H24N4O2S.C17H25N5OS.C16H23N5OS.C15H19F2N5O2S.CH4/c1-4-15-12-21-18-11-14(3)13(2)10-17(18)19(15)23-8-5-6-16(7-9-23)22-26(20,24)25;1-12-9-15-16(10-13(12)2)19-11-20-17(15)22-7-4-5-14(6-8-22)21-24(3,18)23;1-12-9-14-15(10-13(12)2)18-11-19-16(14)20-5-4-6-21(8-7-20)23(3,17)22;1-10-5-12-13(6-11(10)2)19-9-20-14(12)21-3-4-22(25(18,23)24)8-15(16,17)7-21;/h1,10-12,16,22H,5-9H2,2-3H3,(H2,20,24,25);9-11,14H,3-8H2,1-2H3,(H3,18,21,23);9-11H,3-8H2,1-2H3,(H2,17,22);5-6,9H,3-4,7-8H2,1-2H3,(H2,18,23,24);1H4
• InChIKey: FOFZQURDODSINJ-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 340.23 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1440.90
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(amino-methylidene-oxo-λ6-sulfanyl)-1,4-diazepan-1-yl]-6,7-dimethylquinazoline;N-(amino-methylidene-oxo-λ6-sulfanyl)-1-(6,7-dimethylquinazolin-4-yl)azepan-4-amine;4-(6,7-dimethylquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;3-ethynyl-6,7-dimethyl-4-[4-(sulfamoylamino)azepan-1-yl]quinoline;methane?

The IUPAC name of 4-[4-(amino-methylidene-oxo-λ6-sulfanyl)-1,4-diazepan-1-yl]-6,7-dimethylquinazoline;N-(amino-methylidene-oxo-λ6-sulfanyl)-1-(6,7-dimethylquinazolin-4-yl)azepan-4-amine;4-(6,7-dimethylquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;3-ethynyl-6,7-dimethyl-4-[4-(sulfamoylamino)azepan-1-yl]quinoline;methane (CID 158092217) is 4-[4-(amino-methylidene-oxo-λ6-sulfanyl)-1,4-diazepan-1-yl]-6,7-dimethylquinazoline;N-(amino-methylidene-oxo-λ6-sulfanyl)-1-(6,7-dimethylquinazolin-4-yl)azepan-4-amine;4-(6,7-dimethylquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;3-ethynyl-6,7-dimethyl-4-[4-(sulfamoylamino)azepan-1-yl]quinoline;methane.

What is the SMILES notation for 4-[4-(amino-methylidene-oxo-λ6-sulfanyl)-1,4-diazepan-1-yl]-6,7-dimethylquinazoline;N-(amino-methylidene-oxo-λ6-sulfanyl)-1-(6,7-dimethylquinazolin-4-yl)azepan-4-amine;4-(6,7-dimethylquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;3-ethynyl-6,7-dimethyl-4-[4-(sulfamoylamino)azepan-1-yl]quinoline;methane?

The canonical SMILES for 4-[4-(amino-methylidene-oxo-λ6-sulfanyl)-1,4-diazepan-1-yl]-6,7-dimethylquinazoline;N-(amino-methylidene-oxo-λ6-sulfanyl)-1-(6,7-dimethylquinazolin-4-yl)azepan-4-amine;4-(6,7-dimethylquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;3-ethynyl-6,7-dimethyl-4-[4-(sulfamoylamino)azepan-1-yl]quinoline;methane is C.C#Cc1cnc2cc(C)c(C)cc2c1N1CCCC(NS(N)(=O)=O)CC1.C=S(N)(=O)N1CCCN(c2ncnc3cc(C)c(C)cc23)CC1.C=S(N)(=O)NC1CCCN(c2ncnc3cc(C)c(C)cc23)CC1.Cc1cc2ncnc(N3CCN(S(N)(=O)=O)CC(F)(F)C3)c2cc1C.

What is the InChIKey of 4-[4-(amino-methylidene-oxo-λ6-sulfanyl)-1,4-diazepan-1-yl]-6,7-dimethylquinazoline;N-(amino-methylidene-oxo-λ6-sulfanyl)-1-(6,7-dimethylquinazolin-4-yl)azepan-4-amine;4-(6,7-dimethylquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;3-ethynyl-6,7-dimethyl-4-[4-(sulfamoylamino)azepan-1-yl]quinoline;methane?

The InChIKey is FOFZQURDODSINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S.C17H25N5OS.C16H23N5OS.C15H19F2N5O2S.CH4/c1-4-15-12-21-18-11-14(3)13(2)10-17(18)19(15)23-8-5-6-16(7-9-23)22-26(20,24)25;1-12-9-15-16(10-13(12)2)19-11-20-17(15)22-7-4-5-14(6-8-22)21-24(3,18)23;1-12-9-14-15(10-13(12)2)18-11-19-16(14)20-5-4-6-21(8-7-20)23(3,17)22;1-10-5-12-13(6-11(10)2)19-9-20-14(12)21-3-4-22(25(18,23)24)8-15(16,17)7-21;/h1,10-12,16,22H,5-9H2,2-3H3,(H2,20,24,25);9-11,14H,3-8H2,1-2H3,(H3,18,21,23);9-11H,3-8H2,1-2H3,(H2,17,22);5-6,9H,3-4,7-8H2,1-2H3,(H2,18,23,24);1H4.

What are the key properties of 4-[4-(amino-methylidene-oxo-λ6-sulfanyl)-1,4-diazepan-1-yl]-6,7-dimethylquinazoline;N-(amino-methylidene-oxo-λ6-sulfanyl)-1-(6,7-dimethylquinazolin-4-yl)azepan-4-amine;4-(6,7-dimethylquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;3-ethynyl-6,7-dimethyl-4-[4-(sulfamoylamino)azepan-1-yl]quinoline;methane?

4-[4-(amino-methylidene-oxo-λ6-sulfanyl)-1,4-diazepan-1-yl]-6,7-dimethylquinazoline;N-(amino-methylidene-oxo-λ6-sulfanyl)-1-(6,7-dimethylquinazolin-4-yl)azepan-4-amine;4-(6,7-dimethylquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;3-ethynyl-6,7-dimethyl-4-[4-(sulfamoylamino)azepan-1-yl]quinoline;methane has a molecular weight of 1440.90 g/mol, XLogP of 6.79, 10 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(amino-methylidene-oxo-λ6-sulfanyl)-1,4-diazepan-1-yl]-6,7-dimethylquinazoline;N-(amino-methylidene-oxo-λ6-sulfanyl)-1-(6,7-dimethylquinazolin-4-yl)azepan-4-amine;4-(6,7-dimethylquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;3-ethynyl-6,7-dimethyl-4-[4-(sulfamoylamino)azepan-1-yl]quinoline;methane is sourced from PubChem (CID 158092217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).