9-methoxy-6,6-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5H-benzo[h]quinazolin-2-amine

C25H30N6O — CID 57241814

About 9-methoxy-6,6-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5H-benzo[h]quinazolin-2-amine

9-methoxy-6,6-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5H-benzo[h]quinazolin-2-amine (PubChem CID 57241814) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 9-methoxy-6,6-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5H-benzo[h]quinazolin-2-amine.

Molecular Properties

• Compound Name: 9-methoxy-6,6-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5H-benzo[h]quinazolin-2-amine
• PubChem CID: 57241814
• Molecular Formula: C25H30N6O
• Molecular Weight: 430.56 g/mol
• Exact Mass: 430.25
• IUPAC Name: 9-methoxy-6,6-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5H-benzo[h]quinazolin-2-amine
• SMILES: COc1ccc2c(c1)-c1nc(Nc3ccc(N4CCN(C)CC4)nc3)ncc1CC2(C)C
• InChI: InChI=1S/C25H30N6O/c1-25(2)14-17-15-27-24(29-23(17)20-13-19(32-4)6-7-21(20)25)28-18-5-8-22(26-16-18)31-11-9-30(3)10-12-31/h5-8,13,15-16H,9-12,14H2,1-4H3,(H,27,28,29)
• InChIKey: DRVPHZXDQDHMME-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 66.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.56
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-6,6-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5H-benzo[h]quinazolin-2-amine?

The IUPAC name of 9-methoxy-6,6-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5H-benzo[h]quinazolin-2-amine (CID 57241814) is 9-methoxy-6,6-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5H-benzo[h]quinazolin-2-amine.

What is the SMILES notation for 9-methoxy-6,6-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5H-benzo[h]quinazolin-2-amine?

The canonical SMILES for 9-methoxy-6,6-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5H-benzo[h]quinazolin-2-amine is COc1ccc2c(c1)-c1nc(Nc3ccc(N4CCN(C)CC4)nc3)ncc1CC2(C)C.

What is the InChIKey of 9-methoxy-6,6-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5H-benzo[h]quinazolin-2-amine?

The InChIKey is DRVPHZXDQDHMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-25(2)14-17-15-27-24(29-23(17)20-13-19(32-4)6-7-21(20)25)28-18-5-8-22(26-16-18)31-11-9-30(3)10-12-31/h5-8,13,15-16H,9-12,14H2,1-4H3,(H,27,28,29).

What are the key properties of 9-methoxy-6,6-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5H-benzo[h]quinazolin-2-amine?

9-methoxy-6,6-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5H-benzo[h]quinazolin-2-amine has a molecular weight of 430.56 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-methoxy-6,6-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5H-benzo[h]quinazolin-2-amine is sourced from PubChem (CID 57241814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).