4-[8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(8-pyrazin-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)quinazolin-7-yl]naphthalen-2-ol

C34H34FN7O2 — CID 162765859

About 4-[8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(8-pyrazin-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)quinazolin-7-yl]naphthalen-2-ol

4-[8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(8-pyrazin-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)quinazolin-7-yl]naphthalen-2-ol (PubChem CID 162765859) has the molecular formula C34H34FN7O2 and a molecular weight of 591.69 g/mol. Its IUPAC name is 4-[8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(8-pyrazin-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)quinazolin-7-yl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 4-[8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(8-pyrazin-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)quinazolin-7-yl]naphthalen-2-ol
• PubChem CID: 162765859
• Molecular Formula: C34H34FN7O2
• Molecular Weight: 591.69 g/mol
• Exact Mass: 591.28
• IUPAC Name: 4-[8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(8-pyrazin-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)quinazolin-7-yl]naphthalen-2-ol
• SMILES: CN1CCCC1COc1nc(N2CC3CCC(C2)N3c2cnccn2)c2ccc(-c3cc(O)cc4ccccc34)c(F)c2n1
• InChI: InChI=1S/C34H34FN7O2/c1-40-14-4-6-24(40)20-44-34-38-32-28(11-10-27(31(32)35)29-16-25(43)15-21-5-2-3-7-26(21)29)33(39-34)41-18-22-8-9-23(19-41)42(22)30-17-36-12-13-37-30/h2-3,5,7,10-13,15-17,22-24,43H,4,6,8-9,14,18-20H2,1H3
• InChIKey: XHLORYJNUHQNQA-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 90.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.69
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(8-pyrazin-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)quinazolin-7-yl]naphthalen-2-ol?

The IUPAC name of 4-[8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(8-pyrazin-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)quinazolin-7-yl]naphthalen-2-ol (CID 162765859) is 4-[8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(8-pyrazin-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)quinazolin-7-yl]naphthalen-2-ol.

What is the SMILES notation for 4-[8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(8-pyrazin-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)quinazolin-7-yl]naphthalen-2-ol?

The canonical SMILES for 4-[8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(8-pyrazin-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)quinazolin-7-yl]naphthalen-2-ol is CN1CCCC1COc1nc(N2CC3CCC(C2)N3c2cnccn2)c2ccc(-c3cc(O)cc4ccccc34)c(F)c2n1.

What is the InChIKey of 4-[8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(8-pyrazin-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)quinazolin-7-yl]naphthalen-2-ol?

The InChIKey is XHLORYJNUHQNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34FN7O2/c1-40-14-4-6-24(40)20-44-34-38-32-28(11-10-27(31(32)35)29-16-25(43)15-21-5-2-3-7-26(21)29)33(39-34)41-18-22-8-9-23(19-41)42(22)30-17-36-12-13-37-30/h2-3,5,7,10-13,15-17,22-24,43H,4,6,8-9,14,18-20H2,1H3.

What are the key properties of 4-[8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(8-pyrazin-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)quinazolin-7-yl]naphthalen-2-ol?

4-[8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(8-pyrazin-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)quinazolin-7-yl]naphthalen-2-ol has a molecular weight of 591.69 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-4-(8-pyrazin-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)quinazolin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 162765859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).