3-cyano-6,7-dimethyl-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline;3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropane-1-sulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropyl]methanesulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]propyl]methanesulfonamide

C74H98N20O10S4 — CID 158242668

About 3-cyano-6,7-dimethyl-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline;3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropane-1-sulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropyl]methanesulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]propyl]methanesulfonamide

3-cyano-6,7-dimethyl-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline;3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropane-1-sulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropyl]methanesulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]propyl]methanesulfonamide (PubChem CID 158242668) has the molecular formula C74H98N20O10S4 and a molecular weight of 1556.00 g/mol. Its IUPAC name is 3-cyano-6,7-dimethyl-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline;3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropane-1-sulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropyl]methanesulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]propyl]methanesulfonamide.

Molecular Properties

• Compound Name: 3-cyano-6,7-dimethyl-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline;3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropane-1-sulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropyl]methanesulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]propyl]methanesulfonamide
• PubChem CID: 158242668
• Molecular Formula: C74H98N20O10S4
• Molecular Weight: 1556.00 g/mol
• Exact Mass: 1554.67
• IUPAC Name: 3-cyano-6,7-dimethyl-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline;3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropane-1-sulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropyl]methanesulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]propyl]methanesulfonamide
• SMILES: Cc1cc2ncc(C#N)c(-c3ccc(CNS(N)(=O)=O)nc3)c2cc1C.Cc1cc2ncnc(N3CCCN(C(=O)CCNS(C)(=O)=O)CC3)c2cc1C.Cc1cc2ncnc(N3CCCN(C(=O)CCS(N)(=O)=O)CC3)c2cc1C.Cc1cc2ncnc(N3CCCN(CCCNS(C)(=O)=O)CC3)c2cc1C
• InChI: InChI=1S/C19H27N5O3S.C19H29N5O2S.C18H25N5O3S.C18H17N5O2S/c1-14-11-16-17(12-15(14)2)20-13-21-19(16)24-8-4-7-23(9-10-24)18(25)5-6-22-28(3,26)27;1-15-12-17-18(13-16(15)2)20-14-21-19(17)24-9-5-8-23(10-11-24)7-4-6-22-27(3,25)26;1-13-10-15-16(11-14(13)2)20-12-21-18(15)23-6-3-5-22(7-8-23)17(24)4-9-27(19,25)26;1-11-5-16-17(6-12(11)2)22-9-14(7-19)18(16)13-3-4-15(21-8-13)10-23-26(20,24)25/h11-13,22H,4-10H2,1-3H3;12-14,22H,4-11H2,1-3H3;10-12H,3-9H2,1-2H3,(H2,19,25,26);3-6,8-9,23H,10H2,1-2H3,(H2,20,24,25)
• InChIKey: GFSUAWCKKFGQPR-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 405.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1556.00
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-cyano-6,7-dimethyl-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline;3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropane-1-sulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropyl]methanesulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]propyl]methanesulfonamide?

The IUPAC name of 3-cyano-6,7-dimethyl-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline;3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropane-1-sulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropyl]methanesulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]propyl]methanesulfonamide (CID 158242668) is 3-cyano-6,7-dimethyl-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline;3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropane-1-sulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropyl]methanesulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]propyl]methanesulfonamide.

What is the SMILES notation for 3-cyano-6,7-dimethyl-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline;3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropane-1-sulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropyl]methanesulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]propyl]methanesulfonamide?

The canonical SMILES for 3-cyano-6,7-dimethyl-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline;3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropane-1-sulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropyl]methanesulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]propyl]methanesulfonamide is Cc1cc2ncc(C#N)c(-c3ccc(CNS(N)(=O)=O)nc3)c2cc1C.Cc1cc2ncnc(N3CCCN(C(=O)CCNS(C)(=O)=O)CC3)c2cc1C.Cc1cc2ncnc(N3CCCN(C(=O)CCS(N)(=O)=O)CC3)c2cc1C.Cc1cc2ncnc(N3CCCN(CCCNS(C)(=O)=O)CC3)c2cc1C.

What is the InChIKey of 3-cyano-6,7-dimethyl-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline;3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropane-1-sulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropyl]methanesulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]propyl]methanesulfonamide?

The InChIKey is GFSUAWCKKFGQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S.C19H29N5O2S.C18H25N5O3S.C18H17N5O2S/c1-14-11-16-17(12-15(14)2)20-13-21-19(16)24-8-4-7-23(9-10-24)18(25)5-6-22-28(3,26)27;1-15-12-17-18(13-16(15)2)20-14-21-19(17)24-9-5-8-23(10-11-24)7-4-6-22-27(3,25)26;1-13-10-15-16(11-14(13)2)20-12-21-18(15)23-6-3-5-22(7-8-23)17(24)4-9-27(19,25)26;1-11-5-16-17(6-12(11)2)22-9-14(7-19)18(16)13-3-4-15(21-8-13)10-23-26(20,24)25/h11-13,22H,4-10H2,1-3H3;12-14,22H,4-11H2,1-3H3;10-12H,3-9H2,1-2H3,(H2,19,25,26);3-6,8-9,23H,10H2,1-2H3,(H2,20,24,25).

What are the key properties of 3-cyano-6,7-dimethyl-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline;3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropane-1-sulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropyl]methanesulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]propyl]methanesulfonamide?

3-cyano-6,7-dimethyl-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline;3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropane-1-sulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropyl]methanesulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]propyl]methanesulfonamide has a molecular weight of 1556.00 g/mol, XLogP of 5.97, 19 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyano-6,7-dimethyl-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline;3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropane-1-sulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]-3-oxopropyl]methanesulfonamide;N-[3-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 158242668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).