benzo[h]quinolin-2-ylmethanamine;(3-methylbenzo[h]quinolin-2-yl)methanamine;bis((4-methylbenzo[h]quinolin-2-yl)methanamine);(3-phenylbenzo[h]quinolin-2-yl)methanamine;bis((4-phenylbenzo[h]quinolin-2-yl)methanamine)

C119H102N14 — CID 159656051

About benzo[h]quinolin-2-ylmethanamine;(3-methylbenzo[h]quinolin-2-yl)methanamine;bis((4-methylbenzo[h]quinolin-2-yl)methanamine);(3-phenylbenzo[h]quinolin-2-yl)methanamine;bis((4-phenylbenzo[h]quinolin-2-yl)methanamine)

benzo[h]quinolin-2-ylmethanamine;(3-methylbenzo[h]quinolin-2-yl)methanamine;bis((4-methylbenzo[h]quinolin-2-yl)methanamine);(3-phenylbenzo[h]quinolin-2-yl)methanamine;bis((4-phenylbenzo[h]quinolin-2-yl)methanamine) (PubChem CID 159656051) has the molecular formula C119H102N14 and a molecular weight of 1728.22 g/mol. Its IUPAC name is benzo[h]quinolin-2-ylmethanamine;(3-methylbenzo[h]quinolin-2-yl)methanamine;bis((4-methylbenzo[h]quinolin-2-yl)methanamine);(3-phenylbenzo[h]quinolin-2-yl)methanamine;bis((4-phenylbenzo[h]quinolin-2-yl)methanamine).

Molecular Properties

• Compound Name: benzo[h]quinolin-2-ylmethanamine;(3-methylbenzo[h]quinolin-2-yl)methanamine;bis((4-methylbenzo[h]quinolin-2-yl)methanamine);(3-phenylbenzo[h]quinolin-2-yl)methanamine;bis((4-phenylbenzo[h]quinolin-2-yl)methanamine)
• PubChem CID: 159656051
• Molecular Formula: C119H102N14
• Molecular Weight: 1728.22 g/mol
• Exact Mass: 1726.84
• IUPAC Name: benzo[h]quinolin-2-ylmethanamine;(3-methylbenzo[h]quinolin-2-yl)methanamine;bis((4-methylbenzo[h]quinolin-2-yl)methanamine);(3-phenylbenzo[h]quinolin-2-yl)methanamine;bis((4-phenylbenzo[h]quinolin-2-yl)methanamine)
• SMILES: Cc1cc(CN)nc2c1ccc1ccccc12.Cc1cc(CN)nc2c1ccc1ccccc12.Cc1cc2ccc3ccccc3c2nc1CN.NCc1cc(-c2ccccc2)c2ccc3ccccc3c2n1.NCc1cc(-c2ccccc2)c2ccc3ccccc3c2n1.NCc1ccc2ccc3ccccc3c2n1.NCc1nc2c(ccc3ccccc32)cc1-c1ccccc1
• InChI: InChI=1S/3C20H16N2.3C15H14N2.C14H12N2/c2*21-13-16-12-19(14-6-2-1-3-7-14)18-11-10-15-8-4-5-9-17(15)20(18)22-16;21-13-19-18(14-6-2-1-3-7-14)12-16-11-10-15-8-4-5-9-17(15)20(16)22-19;2*1-10-8-12(9-16)17-15-13(10)7-6-11-4-2-3-5-14(11)15;1-10-8-12-7-6-11-4-2-3-5-13(11)15(12)17-14(10)9-16;15-9-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)16-12/h3*1-12H,13,21H2;3*2-8H,9,16H2,1H3;1-8H,9,15H2
• InChIKey: MSEPLAAXNFFDLF-UHFFFAOYSA-N
• XLogP: 25.85
• TPSA: 272.37 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1728.22
LogP ≤ 5	25.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzo[h]quinolin-2-ylmethanamine;(3-methylbenzo[h]quinolin-2-yl)methanamine;bis((4-methylbenzo[h]quinolin-2-yl)methanamine);(3-phenylbenzo[h]quinolin-2-yl)methanamine;bis((4-phenylbenzo[h]quinolin-2-yl)methanamine)?

The IUPAC name of benzo[h]quinolin-2-ylmethanamine;(3-methylbenzo[h]quinolin-2-yl)methanamine;bis((4-methylbenzo[h]quinolin-2-yl)methanamine);(3-phenylbenzo[h]quinolin-2-yl)methanamine;bis((4-phenylbenzo[h]quinolin-2-yl)methanamine) (CID 159656051) is benzo[h]quinolin-2-ylmethanamine;(3-methylbenzo[h]quinolin-2-yl)methanamine;bis((4-methylbenzo[h]quinolin-2-yl)methanamine);(3-phenylbenzo[h]quinolin-2-yl)methanamine;bis((4-phenylbenzo[h]quinolin-2-yl)methanamine).

What is the SMILES notation for benzo[h]quinolin-2-ylmethanamine;(3-methylbenzo[h]quinolin-2-yl)methanamine;bis((4-methylbenzo[h]quinolin-2-yl)methanamine);(3-phenylbenzo[h]quinolin-2-yl)methanamine;bis((4-phenylbenzo[h]quinolin-2-yl)methanamine)?

The canonical SMILES for benzo[h]quinolin-2-ylmethanamine;(3-methylbenzo[h]quinolin-2-yl)methanamine;bis((4-methylbenzo[h]quinolin-2-yl)methanamine);(3-phenylbenzo[h]quinolin-2-yl)methanamine;bis((4-phenylbenzo[h]quinolin-2-yl)methanamine) is Cc1cc(CN)nc2c1ccc1ccccc12.Cc1cc(CN)nc2c1ccc1ccccc12.Cc1cc2ccc3ccccc3c2nc1CN.NCc1cc(-c2ccccc2)c2ccc3ccccc3c2n1.NCc1cc(-c2ccccc2)c2ccc3ccccc3c2n1.NCc1ccc2ccc3ccccc3c2n1.NCc1nc2c(ccc3ccccc32)cc1-c1ccccc1.

What is the InChIKey of benzo[h]quinolin-2-ylmethanamine;(3-methylbenzo[h]quinolin-2-yl)methanamine;bis((4-methylbenzo[h]quinolin-2-yl)methanamine);(3-phenylbenzo[h]quinolin-2-yl)methanamine;bis((4-phenylbenzo[h]quinolin-2-yl)methanamine)?

The InChIKey is MSEPLAAXNFFDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H16N2.3C15H14N2.C14H12N2/c2*21-13-16-12-19(14-6-2-1-3-7-14)18-11-10-15-8-4-5-9-17(15)20(18)22-16;21-13-19-18(14-6-2-1-3-7-14)12-16-11-10-15-8-4-5-9-17(15)20(16)22-19;2*1-10-8-12(9-16)17-15-13(10)7-6-11-4-2-3-5-14(11)15;1-10-8-12-7-6-11-4-2-3-5-13(11)15(12)17-14(10)9-16;15-9-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)16-12/h3*1-12H,13,21H2;3*2-8H,9,16H2,1H3;1-8H,9,15H2.

What are the key properties of benzo[h]quinolin-2-ylmethanamine;(3-methylbenzo[h]quinolin-2-yl)methanamine;bis((4-methylbenzo[h]quinolin-2-yl)methanamine);(3-phenylbenzo[h]quinolin-2-yl)methanamine;bis((4-phenylbenzo[h]quinolin-2-yl)methanamine)?

benzo[h]quinolin-2-ylmethanamine;(3-methylbenzo[h]quinolin-2-yl)methanamine;bis((4-methylbenzo[h]quinolin-2-yl)methanamine);(3-phenylbenzo[h]quinolin-2-yl)methanamine;bis((4-phenylbenzo[h]quinolin-2-yl)methanamine) has a molecular weight of 1728.22 g/mol, XLogP of 25.85, 10 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for benzo[h]quinolin-2-ylmethanamine;(3-methylbenzo[h]quinolin-2-yl)methanamine;bis((4-methylbenzo[h]quinolin-2-yl)methanamine);(3-phenylbenzo[h]quinolin-2-yl)methanamine;bis((4-phenylbenzo[h]quinolin-2-yl)methanamine) is sourced from PubChem (CID 159656051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).