6-(4-chlorophenyl)-N-(1H-inden-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[(2-methoxyphenyl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine

C99H80Cl3F3N12O2 — CID 159658601

About 6-(4-chlorophenyl)-N-(1H-inden-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[(2-methoxyphenyl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine

6-(4-chlorophenyl)-N-(1H-inden-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[(2-methoxyphenyl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 159658601) has the molecular formula C99H80Cl3F3N12O2 and a molecular weight of 1633.16 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(1H-inden-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[(2-methoxyphenyl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

• Compound Name: 6-(4-chlorophenyl)-N-(1H-inden-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[(2-methoxyphenyl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
• PubChem CID: 159658601
• Molecular Formula: C99H80Cl3F3N12O2
• Molecular Weight: 1633.16 g/mol
• Exact Mass: 1630.55
• IUPAC Name: 6-(4-chlorophenyl)-N-(1H-inden-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[(2-methoxyphenyl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
• SMILES: COc1ccccc1CNc1ncc2c(n1)-c1ccccc1C(c1ccccc1)C2.COc1ccccc1CNc1ncc2c(n1)-c1ccccc1C(c1ccccc1Cl)C2.Clc1ccc(C2Cc3cnc(Nc4ccc5c(c4)C=CC5)nc3-c3ccccc32)cc1.FC(F)(F)CNc1ncc2c(n1)-c1ccccc1C(c1ccc(Cl)cc1)C2
• InChI: InChI=1S/C27H20ClN3.C26H22ClN3O.C26H23N3O.C20H15ClF3N3/c28-21-11-8-18(9-12-21)25-15-20-16-29-27(31-26(20)24-7-2-1-6-23(24)25)30-22-13-10-17-4-3-5-19(17)14-22;1-31-24-13-7-2-8-17(24)15-28-26-29-16-18-14-22(20-10-5-6-12-23(20)27)19-9-3-4-11-21(19)25(18)30-26;1-30-24-14-8-5-11-19(24)16-27-26-28-17-20-15-23(18-9-3-2-4-10-18)21-12-6-7-13-22(21)25(20)29-26;21-14-7-5-12(6-8-14)17-9-13-10-25-19(26-11-20(22,23)24)27-18(13)16-4-2-1-3-15(16)17/h1-3,5-14,16,25H,4,15H2,(H,29,30,31);2-13,16,22H,14-15H2,1H3,(H,28,29,30);2-14,17,23H,15-16H2,1H3,(H,27,28,29);1-8,10,17H,9,11H2,(H,25,26,27)
• InChIKey: MSMNTNCIIJLKBL-UHFFFAOYSA-N
• XLogP: 23.82
• TPSA: 169.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1633.16
LogP ≤ 5	23.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-(1H-inden-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[(2-methoxyphenyl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?

The IUPAC name of 6-(4-chlorophenyl)-N-(1H-inden-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[(2-methoxyphenyl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 159658601) is 6-(4-chlorophenyl)-N-(1H-inden-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[(2-methoxyphenyl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine.

What is the SMILES notation for 6-(4-chlorophenyl)-N-(1H-inden-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[(2-methoxyphenyl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?

The canonical SMILES for 6-(4-chlorophenyl)-N-(1H-inden-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[(2-methoxyphenyl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine is COc1ccccc1CNc1ncc2c(n1)-c1ccccc1C(c1ccccc1)C2.COc1ccccc1CNc1ncc2c(n1)-c1ccccc1C(c1ccccc1Cl)C2.Clc1ccc(C2Cc3cnc(Nc4ccc5c(c4)C=CC5)nc3-c3ccccc32)cc1.FC(F)(F)CNc1ncc2c(n1)-c1ccccc1C(c1ccc(Cl)cc1)C2.

What is the InChIKey of 6-(4-chlorophenyl)-N-(1H-inden-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[(2-methoxyphenyl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?

The InChIKey is MSMNTNCIIJLKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN3.C26H22ClN3O.C26H23N3O.C20H15ClF3N3/c28-21-11-8-18(9-12-21)25-15-20-16-29-27(31-26(20)24-7-2-1-6-23(24)25)30-22-13-10-17-4-3-5-19(17)14-22;1-31-24-13-7-2-8-17(24)15-28-26-29-16-18-14-22(20-10-5-6-12-23(20)27)19-9-3-4-11-21(19)25(18)30-26;1-30-24-14-8-5-11-19(24)16-27-26-28-17-20-15-23(18-9-3-2-4-10-18)21-12-6-7-13-22(21)25(20)29-26;21-14-7-5-12(6-8-14)17-9-13-10-25-19(26-11-20(22,23)24)27-18(13)16-4-2-1-3-15(16)17/h1-3,5-14,16,25H,4,15H2,(H,29,30,31);2-13,16,22H,14-15H2,1H3,(H,28,29,30);2-14,17,23H,15-16H2,1H3,(H,27,28,29);1-8,10,17H,9,11H2,(H,25,26,27).

What are the key properties of 6-(4-chlorophenyl)-N-(1H-inden-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[(2-methoxyphenyl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?

6-(4-chlorophenyl)-N-(1H-inden-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[(2-methoxyphenyl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 1633.16 g/mol, XLogP of 23.82, 16 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-chlorophenyl)-N-(1H-inden-5-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[(2-methoxyphenyl)methyl]-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 159658601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).