2-[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]-N,N-dimethylethanamine

C30H34N2O2 — CID 22314972

About 2-[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]-N,N-dimethylethanamine

2-[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]-N,N-dimethylethanamine (PubChem CID 22314972) has the molecular formula C30H34N2O2 and a molecular weight of 454.61 g/mol. Its IUPAC name is 2-[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]-N,N-dimethylethanamine.

Molecular Properties

• Compound Name: 2-[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]-N,N-dimethylethanamine
• PubChem CID: 22314972
• Molecular Formula: C30H34N2O2
• Molecular Weight: 454.61 g/mol
• Exact Mass: 454.26
• IUPAC Name: 2-[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]-N,N-dimethylethanamine
• SMILES: COc1cccc2c1-c1ccc3c(c1C(c1cccc(CCN(C)C)c1)O2)C(C)=CC(C)(C)N3
• InChI: InChI=1S/C30H34N2O2/c1-19-18-30(2,3)31-23-14-13-22-27-24(33-6)11-8-12-25(27)34-29(28(22)26(19)23)21-10-7-9-20(17-21)15-16-32(4)5/h7-14,17-18,29,31H,15-16H2,1-6H3
• InChIKey: MDVLJEDOMYRKFS-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 33.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.61
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]-N,N-dimethylethanamine?

The IUPAC name of 2-[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]-N,N-dimethylethanamine (CID 22314972) is 2-[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]-N,N-dimethylethanamine.

What is the SMILES notation for 2-[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]-N,N-dimethylethanamine?

The canonical SMILES for 2-[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]-N,N-dimethylethanamine is COc1cccc2c1-c1ccc3c(c1C(c1cccc(CCN(C)C)c1)O2)C(C)=CC(C)(C)N3.

What is the InChIKey of 2-[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]-N,N-dimethylethanamine?

The InChIKey is MDVLJEDOMYRKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O2/c1-19-18-30(2,3)31-23-14-13-22-27-24(33-6)11-8-12-25(27)34-29(28(22)26(19)23)21-10-7-9-20(17-21)15-16-32(4)5/h7-14,17-18,29,31H,15-16H2,1-6H3.

What are the key properties of 2-[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]-N,N-dimethylethanamine?

2-[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]-N,N-dimethylethanamine has a molecular weight of 454.61 g/mol, XLogP of 6.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]-N,N-dimethylethanamine is sourced from PubChem (CID 22314972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).