6-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(3,4-difluorophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5,6-dihydrobenzo[h]quinazolin-2-amine

C124H109Cl4F3N16O2 — CID 158058852

About 6-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(3,4-difluorophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5,6-dihydrobenzo[h]quinazolin-2-amine

6-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(3,4-difluorophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 158058852) has the molecular formula C124H109Cl4F3N16O2 and a molecular weight of 2054.15 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(3,4-difluorophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

• Compound Name: 6-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(3,4-difluorophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
• PubChem CID: 158058852
• Molecular Formula: C124H109Cl4F3N16O2
• Molecular Weight: 2054.15 g/mol
• Exact Mass: 2050.76
• IUPAC Name: 6-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(3,4-difluorophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
• SMILES: CC(C)CNc1ncc2c(n1)-c1ccccc1C(c1ccc(Cl)cc1)C2.CC(C)CNc1ncc2c(n1)-c1ccccc1C(c1ccccc1Cl)C2.COc1ccc(CNc2ncc3c(n2)-c2ccccc2C(c2ccc(Cl)cc2)C3)cc1.COc1ccc(CNc2ncc3c(n2)-c2ccccc2C(c2ccccc2Cl)C3)cc1.Fc1ccc2c(CCNc3ncc4c(n3)-c3ccccc3C(c3ccc(F)c(F)c3)C4)c[nH]c2c1
• InChI: InChI=1S/C28H21F3N4.2C26H22ClN3O.2C22H22ClN3/c29-19-6-7-20-17(14-33-26(20)13-19)9-10-32-28-34-15-18-11-23(16-5-8-24(30)25(31)12-16)21-3-1-2-4-22(21)27(18)35-28;1-31-19-12-10-17(11-13-19)15-28-26-29-16-18-14-23(21-7-4-5-9-24(21)27)20-6-2-3-8-22(20)25(18)30-26;1-31-21-12-6-17(7-13-21)15-28-26-29-16-19-14-24(18-8-10-20(27)11-9-18)22-4-2-3-5-23(22)25(19)30-26;1-14(2)12-24-22-25-13-15-11-19(17-8-5-6-10-20(17)23)16-7-3-4-9-18(16)21(15)26-22;1-14(2)12-24-22-25-13-16-11-20(15-7-9-17(23)10-8-15)18-5-3-4-6-19(18)21(16)26-22/h1-8,12-15,23,33H,9-11H2,(H,32,34,35);2-13,16,23H,14-15H2,1H3,(H,28,29,30);2-13,16,24H,14-15H2,1H3,(H,28,29,30);3-10,13-14,19H,11-12H2,1-2H3,(H,24,25,26);3-10,13-14,20H,11-12H2,1-2H3,(H,24,25,26)
• InChIKey: FKJXTVUZTWXVRB-UHFFFAOYSA-N
• XLogP: 29.70
• TPSA: 223.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2054.15
LogP ≤ 5	29.70
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(3,4-difluorophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5,6-dihydrobenzo[h]quinazolin-2-amine?

The IUPAC name of 6-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(3,4-difluorophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 158058852) is 6-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(3,4-difluorophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5,6-dihydrobenzo[h]quinazolin-2-amine.

What is the SMILES notation for 6-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(3,4-difluorophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5,6-dihydrobenzo[h]quinazolin-2-amine?

The canonical SMILES for 6-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(3,4-difluorophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5,6-dihydrobenzo[h]quinazolin-2-amine is CC(C)CNc1ncc2c(n1)-c1ccccc1C(c1ccc(Cl)cc1)C2.CC(C)CNc1ncc2c(n1)-c1ccccc1C(c1ccccc1Cl)C2.COc1ccc(CNc2ncc3c(n2)-c2ccccc2C(c2ccc(Cl)cc2)C3)cc1.COc1ccc(CNc2ncc3c(n2)-c2ccccc2C(c2ccccc2Cl)C3)cc1.Fc1ccc2c(CCNc3ncc4c(n3)-c3ccccc3C(c3ccc(F)c(F)c3)C4)c[nH]c2c1.

What is the InChIKey of 6-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(3,4-difluorophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5,6-dihydrobenzo[h]quinazolin-2-amine?

The InChIKey is FKJXTVUZTWXVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N4.2C26H22ClN3O.2C22H22ClN3/c29-19-6-7-20-17(14-33-26(20)13-19)9-10-32-28-34-15-18-11-23(16-5-8-24(30)25(31)12-16)21-3-1-2-4-22(21)27(18)35-28;1-31-19-12-10-17(11-13-19)15-28-26-29-16-18-14-23(21-7-4-5-9-24(21)27)20-6-2-3-8-22(20)25(18)30-26;1-31-21-12-6-17(7-13-21)15-28-26-29-16-19-14-24(18-8-10-20(27)11-9-18)22-4-2-3-5-23(22)25(19)30-26;1-14(2)12-24-22-25-13-15-11-19(17-8-5-6-10-20(17)23)16-7-3-4-9-18(16)21(15)26-22;1-14(2)12-24-22-25-13-16-11-20(15-7-9-17(23)10-8-15)18-5-3-4-6-19(18)21(16)26-22/h1-8,12-15,23,33H,9-11H2,(H,32,34,35);2-13,16,23H,14-15H2,1H3,(H,28,29,30);2-13,16,24H,14-15H2,1H3,(H,28,29,30);3-10,13-14,19H,11-12H2,1-2H3,(H,24,25,26);3-10,13-14,20H,11-12H2,1-2H3,(H,24,25,26).

What are the key properties of 6-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(3,4-difluorophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5,6-dihydrobenzo[h]quinazolin-2-amine?

6-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(3,4-difluorophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 2054.15 g/mol, XLogP of 29.70, 23 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(2-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(4-chlorophenyl)-N-(2-methylpropyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;6-(3,4-difluorophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 158058852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).