4-chloro-6,7-dimethyl-2-(1-methylpyrazol-4-yl)quinazoline;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-3H-quinazolin-4-one;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethylbenzoate;1-methylpyrazole-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine

C67H83ClN22O7S2 — CID 165092909

About 4-chloro-6,7-dimethyl-2-(1-methylpyrazol-4-yl)quinazoline;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-3H-quinazolin-4-one;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethylbenzoate;1-methylpyrazole-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine

4-chloro-6,7-dimethyl-2-(1-methylpyrazol-4-yl)quinazoline;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-3H-quinazolin-4-one;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethylbenzoate;1-methylpyrazole-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine (PubChem CID 165092909) has the molecular formula C67H83ClN22O7S2 and a molecular weight of 1408.13 g/mol. Its IUPAC name is 4-chloro-6,7-dimethyl-2-(1-methylpyrazol-4-yl)quinazoline;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-3H-quinazolin-4-one;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethylbenzoate;1-methylpyrazole-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine.

Molecular Properties

• Compound Name: 4-chloro-6,7-dimethyl-2-(1-methylpyrazol-4-yl)quinazoline;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-3H-quinazolin-4-one;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethylbenzoate;1-methylpyrazole-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine
• PubChem CID: 165092909
• Molecular Formula: C67H83ClN22O7S2
• Molecular Weight: 1408.13 g/mol
• Exact Mass: 1406.59
• IUPAC Name: 4-chloro-6,7-dimethyl-2-(1-methylpyrazol-4-yl)quinazoline;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-3H-quinazolin-4-one;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethylbenzoate;1-methylpyrazole-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine
• SMILES: COC(=O)c1cc(C)c(C)cc1N.Cc1cc2nc(-c3cnn(C)c3)[nH]c(=O)c2cc1C.Cc1cc2nc(-c3cnn(C)c3)nc(Cl)c2cc1C.Cc1cc2nc(-c3cnn(C)c3)nc(N3CC(CCNS(N)(=O)=O)C3)c2cc1C.Cn1ccc(C#N)n1.NS(=O)(=O)NCCC1CNC1
• InChI: InChI=1S/C19H25N7O2S.C14H13ClN4.C14H14N4O.C10H13NO2.C5H13N3O2S.C5H5N3/c1-12-6-16-17(7-13(12)2)23-18(15-8-21-25(3)11-15)24-19(16)26-9-14(10-26)4-5-22-29(20,27)28;1-8-4-11-12(5-9(8)2)17-14(18-13(11)15)10-6-16-19(3)7-10;1-8-4-11-12(5-9(8)2)16-13(17-14(11)19)10-6-15-18(3)7-10;1-6-4-8(10(12)13-3)9(11)5-7(6)2;6-11(9,10)8-2-1-5-3-7-4-5;1-8-3-2-5(4-6)7-8/h6-8,11,14,22H,4-5,9-10H2,1-3H3,(H2,20,27,28);4-7H,1-3H3;4-7H,1-3H3,(H,16,17,19);4-5H,11H2,1-3H3;5,7-8H,1-4H2,(H2,6,9,10);2-3H,1H3
• InChIKey: XAARBTVIGIUEHP-UHFFFAOYSA-N
• XLogP: 6.86
• TPSA: 404.35 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1408.13
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7-dimethyl-2-(1-methylpyrazol-4-yl)quinazoline;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-3H-quinazolin-4-one;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethylbenzoate;1-methylpyrazole-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine?

The IUPAC name of 4-chloro-6,7-dimethyl-2-(1-methylpyrazol-4-yl)quinazoline;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-3H-quinazolin-4-one;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethylbenzoate;1-methylpyrazole-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine (CID 165092909) is 4-chloro-6,7-dimethyl-2-(1-methylpyrazol-4-yl)quinazoline;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-3H-quinazolin-4-one;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethylbenzoate;1-methylpyrazole-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine.

What is the SMILES notation for 4-chloro-6,7-dimethyl-2-(1-methylpyrazol-4-yl)quinazoline;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-3H-quinazolin-4-one;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethylbenzoate;1-methylpyrazole-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine?

The canonical SMILES for 4-chloro-6,7-dimethyl-2-(1-methylpyrazol-4-yl)quinazoline;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-3H-quinazolin-4-one;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethylbenzoate;1-methylpyrazole-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine is COC(=O)c1cc(C)c(C)cc1N.Cc1cc2nc(-c3cnn(C)c3)[nH]c(=O)c2cc1C.Cc1cc2nc(-c3cnn(C)c3)nc(Cl)c2cc1C.Cc1cc2nc(-c3cnn(C)c3)nc(N3CC(CCNS(N)(=O)=O)C3)c2cc1C.Cn1ccc(C#N)n1.NS(=O)(=O)NCCC1CNC1.

What is the InChIKey of 4-chloro-6,7-dimethyl-2-(1-methylpyrazol-4-yl)quinazoline;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-3H-quinazolin-4-one;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethylbenzoate;1-methylpyrazole-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine?

The InChIKey is XAARBTVIGIUEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2S.C14H13ClN4.C14H14N4O.C10H13NO2.C5H13N3O2S.C5H5N3/c1-12-6-16-17(7-13(12)2)23-18(15-8-21-25(3)11-15)24-19(16)26-9-14(10-26)4-5-22-29(20,27)28;1-8-4-11-12(5-9(8)2)17-14(18-13(11)15)10-6-16-19(3)7-10;1-8-4-11-12(5-9(8)2)16-13(17-14(11)19)10-6-15-18(3)7-10;1-6-4-8(10(12)13-3)9(11)5-7(6)2;6-11(9,10)8-2-1-5-3-7-4-5;1-8-3-2-5(4-6)7-8/h6-8,11,14,22H,4-5,9-10H2,1-3H3,(H2,20,27,28);4-7H,1-3H3;4-7H,1-3H3,(H,16,17,19);4-5H,11H2,1-3H3;5,7-8H,1-4H2,(H2,6,9,10);2-3H,1H3.

What are the key properties of 4-chloro-6,7-dimethyl-2-(1-methylpyrazol-4-yl)quinazoline;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-3H-quinazolin-4-one;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethylbenzoate;1-methylpyrazole-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine?

4-chloro-6,7-dimethyl-2-(1-methylpyrazol-4-yl)quinazoline;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-3H-quinazolin-4-one;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethylbenzoate;1-methylpyrazole-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine has a molecular weight of 1408.13 g/mol, XLogP of 6.86, 13 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6,7-dimethyl-2-(1-methylpyrazol-4-yl)quinazoline;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-3H-quinazolin-4-one;6,7-dimethyl-2-(1-methylpyrazol-4-yl)-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline;methyl 2-amino-4,5-dimethylbenzoate;1-methylpyrazole-3-carbonitrile;3-[2-(sulfamoylamino)ethyl]azetidine is sourced from PubChem (CID 165092909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).