6-bromo-3-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-methyl-7-(methylamino)quinazolin-4-one;7-(cyclopropylmethylamino)-3-methylquinazolin-4-one;7-[2-(dimethylamino)ethylamino]-3-methylquinazolin-4-one;3-methyl-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-methyl-7-(propylamino)quinazolin-4-one;N,N,3-trimethyl-4-oxoquinazoline-7-carboximidamide

C86H104BrClN24O7 — CID 159750817

About 6-bromo-3-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-methyl-7-(methylamino)quinazolin-4-one;7-(cyclopropylmethylamino)-3-methylquinazolin-4-one;7-[2-(dimethylamino)ethylamino]-3-methylquinazolin-4-one;3-methyl-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-methyl-7-(propylamino)quinazolin-4-one;N,N,3-trimethyl-4-oxoquinazoline-7-carboximidamide

6-bromo-3-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-methyl-7-(methylamino)quinazolin-4-one;7-(cyclopropylmethylamino)-3-methylquinazolin-4-one;7-[2-(dimethylamino)ethylamino]-3-methylquinazolin-4-one;3-methyl-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-methyl-7-(propylamino)quinazolin-4-one;N,N,3-trimethyl-4-oxoquinazoline-7-carboximidamide (PubChem CID 159750817) has the molecular formula C86H104BrClN24O7 and a molecular weight of 1701.30 g/mol. Its IUPAC name is 6-bromo-3-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-methyl-7-(methylamino)quinazolin-4-one;7-(cyclopropylmethylamino)-3-methylquinazolin-4-one;7-[2-(dimethylamino)ethylamino]-3-methylquinazolin-4-one;3-methyl-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-methyl-7-(propylamino)quinazolin-4-one;N,N,3-trimethyl-4-oxoquinazoline-7-carboximidamide.

Molecular Properties

• Compound Name: 6-bromo-3-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-methyl-7-(methylamino)quinazolin-4-one;7-(cyclopropylmethylamino)-3-methylquinazolin-4-one;7-[2-(dimethylamino)ethylamino]-3-methylquinazolin-4-one;3-methyl-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-methyl-7-(propylamino)quinazolin-4-one;N,N,3-trimethyl-4-oxoquinazoline-7-carboximidamide
• PubChem CID: 159750817
• Molecular Formula: C86H104BrClN24O7
• Molecular Weight: 1701.30 g/mol
• Exact Mass: 1698.74
• IUPAC Name: 6-bromo-3-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-methyl-7-(methylamino)quinazolin-4-one;7-(cyclopropylmethylamino)-3-methylquinazolin-4-one;7-[2-(dimethylamino)ethylamino]-3-methylquinazolin-4-one;3-methyl-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-methyl-7-(propylamino)quinazolin-4-one;N,N,3-trimethyl-4-oxoquinazoline-7-carboximidamide
• SMILES: CCCNc1ccc2c(=O)n(C)cnc2c1.CN(C)CCNc1ccc2c(=O)n(C)cnc2c1.CNc1cc2ncn(C)c(=O)c2cc1Br.CNc1cc2ncn(C)c(=O)c2cc1Cl.Cn1cnc2cc(NCC3CC3)ccc2c1=O.Cn1cnc2cc(NCCN3CCCCC3)ccc2c1=O.[H]/N=C(/c1ccc2c(=O)n(C)cnc2c1)N(C)C
• InChI: InChI=1S/C16H22N4O.C13H18N4O.C13H15N3O.C12H14N4O.C12H15N3O.C10H10BrN3O.C10H10ClN3O/c1-19-12-18-15-11-13(5-6-14(15)16(19)21)17-7-10-20-8-3-2-4-9-20;1-16(2)7-6-14-10-4-5-11-12(8-10)15-9-17(3)13(11)18;1-16-8-15-12-6-10(14-7-9-2-3-9)4-5-11(12)13(16)17;1-15(2)11(13)8-4-5-9-10(6-8)14-7-16(3)12(9)17;1-3-6-13-9-4-5-10-11(7-9)14-8-15(2)12(10)16;2*1-12-9-4-8-6(3-7(9)11)10(15)14(2)5-13-8/h5-6,11-12,17H,2-4,7-10H2,1H3;4-5,8-9,14H,6-7H2,1-3H3;4-6,8-9,14H,2-3,7H2,1H3;4-7,13H,1-3H3;4-5,7-8,13H,3,6H2,1-2H3;2*3-5,12H,1-2H3/b;;;13-11-
• InChIKey: NDPXZQHTLOSWGX-IAJOOPBISA-N
• XLogP: 10.44
• TPSA: 349.98 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 17
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1701.30
LogP ≤ 5	10.44
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-methyl-7-(methylamino)quinazolin-4-one;7-(cyclopropylmethylamino)-3-methylquinazolin-4-one;7-[2-(dimethylamino)ethylamino]-3-methylquinazolin-4-one;3-methyl-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-methyl-7-(propylamino)quinazolin-4-one;N,N,3-trimethyl-4-oxoquinazoline-7-carboximidamide?

The IUPAC name of 6-bromo-3-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-methyl-7-(methylamino)quinazolin-4-one;7-(cyclopropylmethylamino)-3-methylquinazolin-4-one;7-[2-(dimethylamino)ethylamino]-3-methylquinazolin-4-one;3-methyl-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-methyl-7-(propylamino)quinazolin-4-one;N,N,3-trimethyl-4-oxoquinazoline-7-carboximidamide (CID 159750817) is 6-bromo-3-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-methyl-7-(methylamino)quinazolin-4-one;7-(cyclopropylmethylamino)-3-methylquinazolin-4-one;7-[2-(dimethylamino)ethylamino]-3-methylquinazolin-4-one;3-methyl-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-methyl-7-(propylamino)quinazolin-4-one;N,N,3-trimethyl-4-oxoquinazoline-7-carboximidamide.

What is the SMILES notation for 6-bromo-3-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-methyl-7-(methylamino)quinazolin-4-one;7-(cyclopropylmethylamino)-3-methylquinazolin-4-one;7-[2-(dimethylamino)ethylamino]-3-methylquinazolin-4-one;3-methyl-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-methyl-7-(propylamino)quinazolin-4-one;N,N,3-trimethyl-4-oxoquinazoline-7-carboximidamide?

The canonical SMILES for 6-bromo-3-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-methyl-7-(methylamino)quinazolin-4-one;7-(cyclopropylmethylamino)-3-methylquinazolin-4-one;7-[2-(dimethylamino)ethylamino]-3-methylquinazolin-4-one;3-methyl-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-methyl-7-(propylamino)quinazolin-4-one;N,N,3-trimethyl-4-oxoquinazoline-7-carboximidamide is CCCNc1ccc2c(=O)n(C)cnc2c1.CN(C)CCNc1ccc2c(=O)n(C)cnc2c1.CNc1cc2ncn(C)c(=O)c2cc1Br.CNc1cc2ncn(C)c(=O)c2cc1Cl.Cn1cnc2cc(NCC3CC3)ccc2c1=O.Cn1cnc2cc(NCCN3CCCCC3)ccc2c1=O.[H]/N=C(/c1ccc2c(=O)n(C)cnc2c1)N(C)C.

What is the InChIKey of 6-bromo-3-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-methyl-7-(methylamino)quinazolin-4-one;7-(cyclopropylmethylamino)-3-methylquinazolin-4-one;7-[2-(dimethylamino)ethylamino]-3-methylquinazolin-4-one;3-methyl-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-methyl-7-(propylamino)quinazolin-4-one;N,N,3-trimethyl-4-oxoquinazoline-7-carboximidamide?

The InChIKey is NDPXZQHTLOSWGX-IAJOOPBISA-N. The full InChI is InChI=1S/C16H22N4O.C13H18N4O.C13H15N3O.C12H14N4O.C12H15N3O.C10H10BrN3O.C10H10ClN3O/c1-19-12-18-15-11-13(5-6-14(15)16(19)21)17-7-10-20-8-3-2-4-9-20;1-16(2)7-6-14-10-4-5-11-12(8-10)15-9-17(3)13(11)18;1-16-8-15-12-6-10(14-7-9-2-3-9)4-5-11(12)13(16)17;1-15(2)11(13)8-4-5-9-10(6-8)14-7-16(3)12(9)17;1-3-6-13-9-4-5-10-11(7-9)14-8-15(2)12(10)16;2*1-12-9-4-8-6(3-7(9)11)10(15)14(2)5-13-8/h5-6,11-12,17H,2-4,7-10H2,1H3;4-5,8-9,14H,6-7H2,1-3H3;4-6,8-9,14H,2-3,7H2,1H3;4-7,13H,1-3H3;4-5,7-8,13H,3,6H2,1-2H3;2*3-5,12H,1-2H3/b;;;13-11-;;;.

What are the key properties of 6-bromo-3-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-methyl-7-(methylamino)quinazolin-4-one;7-(cyclopropylmethylamino)-3-methylquinazolin-4-one;7-[2-(dimethylamino)ethylamino]-3-methylquinazolin-4-one;3-methyl-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-methyl-7-(propylamino)quinazolin-4-one;N,N,3-trimethyl-4-oxoquinazoline-7-carboximidamide?

6-bromo-3-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-methyl-7-(methylamino)quinazolin-4-one;7-(cyclopropylmethylamino)-3-methylquinazolin-4-one;7-[2-(dimethylamino)ethylamino]-3-methylquinazolin-4-one;3-methyl-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-methyl-7-(propylamino)quinazolin-4-one;N,N,3-trimethyl-4-oxoquinazoline-7-carboximidamide has a molecular weight of 1701.30 g/mol, XLogP of 10.44, 17 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-methyl-7-(methylamino)quinazolin-4-one;6-chloro-3-methyl-7-(methylamino)quinazolin-4-one;7-(cyclopropylmethylamino)-3-methylquinazolin-4-one;7-[2-(dimethylamino)ethylamino]-3-methylquinazolin-4-one;3-methyl-7-(2-piperidin-1-ylethylamino)quinazolin-4-one;3-methyl-7-(propylamino)quinazolin-4-one;N,N,3-trimethyl-4-oxoquinazoline-7-carboximidamide is sourced from PubChem (CID 159750817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).