N-[3-(azepan-1-yl)propyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-diethylbutane-1,4-diamine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;N-[(6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;6-(3,4-dichlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine

C127H140Cl10N20 — CID 158415880

About N-[3-(azepan-1-yl)propyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-diethylbutane-1,4-diamine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;N-[(6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;6-(3,4-dichlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine

N-[3-(azepan-1-yl)propyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-diethylbutane-1,4-diamine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;N-[(6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;6-(3,4-dichlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 158415880) has the molecular formula C127H140Cl10N20 and a molecular weight of 2301.19 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)propyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-diethylbutane-1,4-diamine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;N-[(6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;6-(3,4-dichlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

• Compound Name: N-[3-(azepan-1-yl)propyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-diethylbutane-1,4-diamine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;N-[(6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;6-(3,4-dichlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine
• PubChem CID: 158415880
• Molecular Formula: C127H140Cl10N20
• Molecular Weight: 2301.19 g/mol
• Exact Mass: 2294.85
• IUPAC Name: N-[3-(azepan-1-yl)propyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-diethylbutane-1,4-diamine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;N-[(6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;6-(3,4-dichlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine
• SMILES: CCN(CC)CCCCNc1ncc2c(n1)-c1ccccc1C(c1ccc(Cl)c(Cl)c1)C2.CN(C)CCCNc1ncc2c(n1)-c1ccccc1C(c1ccc(Cl)c(Cl)c1)C2.CN(C)CCCNc1ncc2c(n1)-c1ccccc1[C@H](c1ccc(Cl)c(Cl)c1)C2.CN1C(C)(C)CC(Nc2ncc3c(n2)-c2ccccc2C(c2ccc(Cl)c(Cl)c2)C3)CC1(C)C.Clc1ccc(C2Cc3cnc(NCCCN4CCCCCC4)nc3-c3ccccc32)cc1Cl
• InChI: InChI=1S/C28H32Cl2N4.C27H30Cl2N4.C26H30Cl2N4.2C23H24Cl2N4/c1-27(2)14-19(15-28(3,4)34(27)5)32-26-31-16-18-12-22(17-10-11-23(29)24(30)13-17)20-8-6-7-9-21(20)25(18)33-26;28-24-11-10-19(17-25(24)29)23-16-20-18-31-27(32-26(20)22-9-4-3-8-21(22)23)30-12-7-15-33-13-5-1-2-6-14-33;1-3-32(4-2)14-8-7-13-29-26-30-17-19-15-22(18-11-12-23(27)24(28)16-18)20-9-5-6-10-21(20)25(19)31-26;2*1-29(2)11-5-10-26-23-27-14-16-12-19(15-8-9-20(24)21(25)13-15)17-6-3-4-7-18(17)22(16)28-23/h6-11,13,16,19,22H,12,14-15H2,1-5H3,(H,31,32,33);3-4,8-11,17-18,23H,1-2,5-7,12-16H2,(H,30,31,32);5-6,9-12,16-17,22H,3-4,7-8,13-15H2,1-2H3,(H,29,30,31);2*3-4,6-9,13-14,19H,5,10-12H2,1-2H3,(H,26,27,28)/t;;;19-;/m...0./s1
• InChIKey: GZWRIUJROZPIIE-NDQRINPDSA-N
• XLogP: 31.69
• TPSA: 205.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 30
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2301.19
LogP ≤ 5	31.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)propyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-diethylbutane-1,4-diamine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;N-[(6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;6-(3,4-dichlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine?

The IUPAC name of N-[3-(azepan-1-yl)propyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-diethylbutane-1,4-diamine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;N-[(6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;6-(3,4-dichlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 158415880) is N-[3-(azepan-1-yl)propyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-diethylbutane-1,4-diamine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;N-[(6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;6-(3,4-dichlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine.

What is the SMILES notation for N-[3-(azepan-1-yl)propyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-diethylbutane-1,4-diamine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;N-[(6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;6-(3,4-dichlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine?

The canonical SMILES for N-[3-(azepan-1-yl)propyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-diethylbutane-1,4-diamine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;N-[(6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;6-(3,4-dichlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine is CCN(CC)CCCCNc1ncc2c(n1)-c1ccccc1C(c1ccc(Cl)c(Cl)c1)C2.CN(C)CCCNc1ncc2c(n1)-c1ccccc1C(c1ccc(Cl)c(Cl)c1)C2.CN(C)CCCNc1ncc2c(n1)-c1ccccc1[C@H](c1ccc(Cl)c(Cl)c1)C2.CN1C(C)(C)CC(Nc2ncc3c(n2)-c2ccccc2C(c2ccc(Cl)c(Cl)c2)C3)CC1(C)C.Clc1ccc(C2Cc3cnc(NCCCN4CCCCCC4)nc3-c3ccccc32)cc1Cl.

What is the InChIKey of N-[3-(azepan-1-yl)propyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-diethylbutane-1,4-diamine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;N-[(6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;6-(3,4-dichlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine?

The InChIKey is GZWRIUJROZPIIE-NDQRINPDSA-N. The full InChI is InChI=1S/C28H32Cl2N4.C27H30Cl2N4.C26H30Cl2N4.2C23H24Cl2N4/c1-27(2)14-19(15-28(3,4)34(27)5)32-26-31-16-18-12-22(17-10-11-23(29)24(30)13-17)20-8-6-7-9-21(20)25(18)33-26;28-24-11-10-19(17-25(24)29)23-16-20-18-31-27(32-26(20)22-9-4-3-8-21(22)23)30-12-7-15-33-13-5-1-2-6-14-33;1-3-32(4-2)14-8-7-13-29-26-30-17-19-15-22(18-11-12-23(27)24(28)16-18)20-9-5-6-10-21(20)25(19)31-26;2*1-29(2)11-5-10-26-23-27-14-16-12-19(15-8-9-20(24)21(25)13-15)17-6-3-4-7-18(17)22(16)28-23/h6-11,13,16,19,22H,12,14-15H2,1-5H3,(H,31,32,33);3-4,8-11,17-18,23H,1-2,5-7,12-16H2,(H,30,31,32);5-6,9-12,16-17,22H,3-4,7-8,13-15H2,1-2H3,(H,29,30,31);2*3-4,6-9,13-14,19H,5,10-12H2,1-2H3,(H,26,27,28)/t;;;19-;/m...0./s1.

What are the key properties of N-[3-(azepan-1-yl)propyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-diethylbutane-1,4-diamine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;N-[(6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;6-(3,4-dichlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine?

N-[3-(azepan-1-yl)propyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-diethylbutane-1,4-diamine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;N-[(6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;6-(3,4-dichlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 2301.19 g/mol, XLogP of 31.69, 30 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(azepan-1-yl)propyl]-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-diethylbutane-1,4-diamine;N-[6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;N-[(6S)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]-N',N'-dimethylpropane-1,3-diamine;6-(3,4-dichlorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 158415880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).