7-(dimethylamino)-2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol

C37H32N4O — CID 171580134

About 7-(dimethylamino)-2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol

7-(dimethylamino)-2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol (PubChem CID 171580134) has the molecular formula C37H32N4O and a molecular weight of 548.69 g/mol. Its IUPAC name is 7-(dimethylamino)-2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol.

Molecular Properties

• Compound Name: 7-(dimethylamino)-2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
• PubChem CID: 171580134
• Molecular Formula: C37H32N4O
• Molecular Weight: 548.69 g/mol
• Exact Mass: 548.26
• IUPAC Name: 7-(dimethylamino)-2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
• SMILES: CN(C)c1ccc2ccc(-c3ccc4c(c3)N(c3cc(-c5ccccc5)ccn3)c3ccccc3C4(C)C)nc2c1O
• InChI: InChI=1S/C37H32N4O/c1-37(2)28-12-8-9-13-31(28)41(34-23-26(20-21-38-34)24-10-6-5-7-11-24)33-22-27(14-17-29(33)37)30-18-15-25-16-19-32(40(3)4)36(42)35(25)39-30/h5-23,42H,1-4H3
• InChIKey: JDPGSFLYGOFCHD-UHFFFAOYSA-N
• XLogP: 8.84
• TPSA: 52.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.69
LogP ≤ 5	8.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol?

The IUPAC name of 7-(dimethylamino)-2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol (CID 171580134) is 7-(dimethylamino)-2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol.

What is the SMILES notation for 7-(dimethylamino)-2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol?

The canonical SMILES for 7-(dimethylamino)-2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol is CN(C)c1ccc2ccc(-c3ccc4c(c3)N(c3cc(-c5ccccc5)ccn3)c3ccccc3C4(C)C)nc2c1O.

What is the InChIKey of 7-(dimethylamino)-2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol?

The InChIKey is JDPGSFLYGOFCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N4O/c1-37(2)28-12-8-9-13-31(28)41(34-23-26(20-21-38-34)24-10-6-5-7-11-24)33-22-27(14-17-29(33)37)30-18-15-25-16-19-32(40(3)4)36(42)35(25)39-30/h5-23,42H,1-4H3.

What are the key properties of 7-(dimethylamino)-2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol?

7-(dimethylamino)-2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol has a molecular weight of 548.69 g/mol, XLogP of 8.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(dimethylamino)-2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol is sourced from PubChem (CID 171580134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).