[5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol;[5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol

C54H52F2N2O4 — CID 167629542

About [5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol;[5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol

[5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol;[5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol (PubChem CID 167629542) has the molecular formula C54H52F2N2O4 and a molecular weight of 830.02 g/mol. Its IUPAC name is [5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol;[5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol.

Molecular Properties

• Compound Name: [5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol;[5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol
• PubChem CID: 167629542
• Molecular Formula: C54H52F2N2O4
• Molecular Weight: 830.02 g/mol
• Exact Mass: 829.39
• IUPAC Name: [5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol;[5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol
• SMILES: CC1=CC(C)(C)Nc2ccc3c(c21)C(Cc1ccc(F)cc1)Oc1cccc(CO)c1-3.CC1=CC(C)(C)Nc2ccc3c(c21)C(Cc1ccc([18F])cc1)Oc1cccc(CO)c1-3
• InChI: InChI=1S/2C27H26FNO2/c2*1-16-14-27(2,3)29-21-12-11-20-25-18(15-30)5-4-6-22(25)31-23(26(20)24(16)21)13-17-7-9-19(28)10-8-17/h2*4-12,14,23,29-30H,13,15H2,1-3H3/i28-1
• InChIKey: NPCUAJSQVGJIGM-YVAMAKEUSA-N
• XLogP: 12.54
• TPSA: 82.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	830.02
LogP ≤ 5	12.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol;[5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol?

The IUPAC name of [5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol;[5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol (CID 167629542) is [5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol;[5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol.

What is the SMILES notation for [5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol;[5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol?

The canonical SMILES for [5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol;[5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol is CC1=CC(C)(C)Nc2ccc3c(c21)C(Cc1ccc(F)cc1)Oc1cccc(CO)c1-3.CC1=CC(C)(C)Nc2ccc3c(c21)C(Cc1ccc([18F])cc1)Oc1cccc(CO)c1-3.

What is the InChIKey of [5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol;[5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol?

The InChIKey is NPCUAJSQVGJIGM-YVAMAKEUSA-N. The full InChI is InChI=1S/2C27H26FNO2/c2*1-16-14-27(2,3)29-21-12-11-20-25-18(15-30)5-4-6-22(25)31-23(26(20)24(16)21)13-17-7-9-19(28)10-8-17/h2*4-12,14,23,29-30H,13,15H2,1-3H3/i28-1;.

What are the key properties of [5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol;[5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol?

[5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol;[5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol has a molecular weight of 830.02 g/mol, XLogP of 12.54, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol;[5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol is sourced from PubChem (CID 167629542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).