2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-phenylquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-[4-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-2-isoquinolin-4-yl-6,7-dimethoxyquinazolin-4-amine

C110H99F3N18O10 — CID 159282190

About 2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-phenylquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-[4-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-2-isoquinolin-4-yl-6,7-dimethoxyquinazolin-4-amine

2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-phenylquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-[4-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-2-isoquinolin-4-yl-6,7-dimethoxyquinazolin-4-amine (PubChem CID 159282190) has the molecular formula C110H99F3N18O10 and a molecular weight of 1890.11 g/mol. Its IUPAC name is 2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-phenylquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-[4-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-2-isoquinolin-4-yl-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

• Compound Name: 2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-phenylquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-[4-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-2-isoquinolin-4-yl-6,7-dimethoxyquinazolin-4-amine
• PubChem CID: 159282190
• Molecular Formula: C110H99F3N18O10
• Molecular Weight: 1890.11 g/mol
• Exact Mass: 1888.77
• IUPAC Name: 2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-phenylquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-[4-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-2-isoquinolin-4-yl-6,7-dimethoxyquinazolin-4-amine
• SMILES: COc1cc2nc(-c3ccc(C(F)(F)F)cc3)nc(NCCc3c[nH]c4ccccc34)c2cc1OC.COc1cc2nc(-c3ccccc3)nc(NCCc3c[nH]c4ccccc34)c2cc1OC.COc1cc2nc(-c3cncc4ccccc34)nc(NCCc3c[nH]c4ccccc34)c2cc1OC.COc1cc2nc(NCc3ccc4c(c3)OCO4)nc(NCCc3c[nH]c4ccccc34)c2cc1OC
• InChI: InChI=1S/C29H25N5O2.C28H27N5O4.C27H23F3N4O2.C26H24N4O2/c1-35-26-13-22-25(14-27(26)36-2)33-29(23-17-30-15-18-7-3-4-8-20(18)23)34-28(22)31-12-11-19-16-32-24-10-6-5-9-21(19)24;1-34-24-12-20-22(13-25(24)35-2)32-28(31-14-17-7-8-23-26(11-17)37-16-36-23)33-27(20)29-10-9-18-15-30-21-6-4-3-5-19(18)21;1-35-23-13-20-22(14-24(23)36-2)33-25(16-7-9-18(10-8-16)27(28,29)30)34-26(20)31-12-11-17-15-32-21-6-4-3-5-19(17)21;1-31-23-14-20-22(15-24(23)32-2)29-25(17-8-4-3-5-9-17)30-26(20)27-13-12-18-16-28-21-11-7-6-10-19(18)21/h3-10,13-17,32H,11-12H2,1-2H3,(H,31,33,34);3-8,11-13,15,30H,9-10,14,16H2,1-2H3,(H2,29,31,32,33);3-10,13-15,32H,11-12H2,1-2H3,(H,31,33,34);3-11,14-16,28H,12-13H2,1-2H3,(H,27,29,30)
• InChIKey: KZBDYTVZJQGKBR-UHFFFAOYSA-N
• XLogP: 23.04
• TPSA: 331.62 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1890.11
LogP ≤ 5	23.04
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-phenylquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-[4-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-2-isoquinolin-4-yl-6,7-dimethoxyquinazolin-4-amine?

The IUPAC name of 2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-phenylquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-[4-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-2-isoquinolin-4-yl-6,7-dimethoxyquinazolin-4-amine (CID 159282190) is 2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-phenylquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-[4-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-2-isoquinolin-4-yl-6,7-dimethoxyquinazolin-4-amine.

What is the SMILES notation for 2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-phenylquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-[4-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-2-isoquinolin-4-yl-6,7-dimethoxyquinazolin-4-amine?

The canonical SMILES for 2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-phenylquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-[4-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-2-isoquinolin-4-yl-6,7-dimethoxyquinazolin-4-amine is COc1cc2nc(-c3ccc(C(F)(F)F)cc3)nc(NCCc3c[nH]c4ccccc34)c2cc1OC.COc1cc2nc(-c3ccccc3)nc(NCCc3c[nH]c4ccccc34)c2cc1OC.COc1cc2nc(-c3cncc4ccccc34)nc(NCCc3c[nH]c4ccccc34)c2cc1OC.COc1cc2nc(NCc3ccc4c(c3)OCO4)nc(NCCc3c[nH]c4ccccc34)c2cc1OC.

What is the InChIKey of 2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-phenylquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-[4-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-2-isoquinolin-4-yl-6,7-dimethoxyquinazolin-4-amine?

The InChIKey is KZBDYTVZJQGKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O2.C28H27N5O4.C27H23F3N4O2.C26H24N4O2/c1-35-26-13-22-25(14-27(26)36-2)33-29(23-17-30-15-18-7-3-4-8-20(18)23)34-28(22)31-12-11-19-16-32-24-10-6-5-9-21(19)24;1-34-24-12-20-22(13-25(24)35-2)32-28(31-14-17-7-8-23-26(11-17)37-16-36-23)33-27(20)29-10-9-18-15-30-21-6-4-3-5-19(18)21;1-35-23-13-20-22(14-24(23)36-2)33-25(16-7-9-18(10-8-16)27(28,29)30)34-26(20)31-12-11-17-15-32-21-6-4-3-5-19(17)21;1-31-23-14-20-22(15-24(23)32-2)29-25(17-8-4-3-5-9-17)30-26(20)27-13-12-18-16-28-21-11-7-6-10-19(18)21/h3-10,13-17,32H,11-12H2,1-2H3,(H,31,33,34);3-8,11-13,15,30H,9-10,14,16H2,1-2H3,(H2,29,31,32,33);3-10,13-15,32H,11-12H2,1-2H3,(H,31,33,34);3-11,14-16,28H,12-13H2,1-2H3,(H,27,29,30).

What are the key properties of 2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-phenylquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-[4-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-2-isoquinolin-4-yl-6,7-dimethoxyquinazolin-4-amine?

2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-phenylquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-[4-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-2-isoquinolin-4-yl-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 1890.11 g/mol, XLogP of 23.04, 30 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-phenylquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-[4-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-2-isoquinolin-4-yl-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 159282190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).