4-[6-chloro-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxyquinazolin-7-yl]naphthalen-2-ol

C32H30ClFN6O2 — CID 163680315

About 4-[6-chloro-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxyquinazolin-7-yl]naphthalen-2-ol

4-[6-chloro-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxyquinazolin-7-yl]naphthalen-2-ol (PubChem CID 163680315) has the molecular formula C32H30ClFN6O2 and a molecular weight of 585.08 g/mol. Its IUPAC name is 4-[6-chloro-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxyquinazolin-7-yl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 4-[6-chloro-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxyquinazolin-7-yl]naphthalen-2-ol
• PubChem CID: 163680315
• Molecular Formula: C32H30ClFN6O2
• Molecular Weight: 585.08 g/mol
• Exact Mass: 584.21
• IUPAC Name: 4-[6-chloro-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxyquinazolin-7-yl]naphthalen-2-ol
• SMILES: C=Cc1ncc2n1CCN(c1nc(OC3CCN(C)CC3)nc3c(F)c(-c4cc(O)cc5ccccc45)c(Cl)cc13)C2
• InChI: InChI=1S/C32H30ClFN6O2/c1-3-27-35-17-20-18-39(12-13-40(20)27)31-25-16-26(33)28(24-15-21(41)14-19-6-4-5-7-23(19)24)29(34)30(25)36-32(37-31)42-22-8-10-38(2)11-9-22/h3-7,14-17,22,41H,1,8-13,18H2,2H3
• InChIKey: JKGXJIMWHDYMFO-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 79.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.08
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxyquinazolin-7-yl]naphthalen-2-ol?

The IUPAC name of 4-[6-chloro-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxyquinazolin-7-yl]naphthalen-2-ol (CID 163680315) is 4-[6-chloro-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxyquinazolin-7-yl]naphthalen-2-ol.

What is the SMILES notation for 4-[6-chloro-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxyquinazolin-7-yl]naphthalen-2-ol?

The canonical SMILES for 4-[6-chloro-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxyquinazolin-7-yl]naphthalen-2-ol is C=Cc1ncc2n1CCN(c1nc(OC3CCN(C)CC3)nc3c(F)c(-c4cc(O)cc5ccccc45)c(Cl)cc13)C2.

What is the InChIKey of 4-[6-chloro-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxyquinazolin-7-yl]naphthalen-2-ol?

The InChIKey is JKGXJIMWHDYMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30ClFN6O2/c1-3-27-35-17-20-18-39(12-13-40(20)27)31-25-16-26(33)28(24-15-21(41)14-19-6-4-5-7-23(19)24)29(34)30(25)36-32(37-31)42-22-8-10-38(2)11-9-22/h3-7,14-17,22,41H,1,8-13,18H2,2H3.

What are the key properties of 4-[6-chloro-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxyquinazolin-7-yl]naphthalen-2-ol?

4-[6-chloro-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxyquinazolin-7-yl]naphthalen-2-ol has a molecular weight of 585.08 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-chloro-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(1-methylpiperidin-4-yl)oxyquinazolin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 163680315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).