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

C32H30ClFN6O3 — CID 163495302

About 4-[6-chloro-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(2-morpholin-4-ylethoxy)quinazolin-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-(2-morpholin-4-ylethoxy)quinazolin-7-yl]naphthalen-2-ol (PubChem CID 163495302) has the molecular formula C32H30ClFN6O3 and a molecular weight of 601.08 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-(2-morpholin-4-ylethoxy)quinazolin-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-(2-morpholin-4-ylethoxy)quinazolin-7-yl]naphthalen-2-ol
• PubChem CID: 163495302
• Molecular Formula: C32H30ClFN6O3
• Molecular Weight: 601.08 g/mol
• Exact Mass: 600.21
• IUPAC Name: 4-[6-chloro-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(2-morpholin-4-ylethoxy)quinazolin-7-yl]naphthalen-2-ol
• SMILES: C=Cc1ncc2n1CCN(c1nc(OCCN3CCOCC3)nc3c(F)c(-c4cc(O)cc5ccccc45)c(Cl)cc13)C2
• InChI: InChI=1S/C32H30ClFN6O3/c1-2-27-35-18-21-19-39(7-8-40(21)27)31-25-17-26(33)28(24-16-22(41)15-20-5-3-4-6-23(20)24)29(34)30(25)36-32(37-31)43-14-11-38-9-12-42-13-10-38/h2-6,15-18,41H,1,7-14,19H2
• InChIKey: CQEDSJAJXPIXCG-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 88.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.08
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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-(2-morpholin-4-ylethoxy)quinazolin-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-(2-morpholin-4-ylethoxy)quinazolin-7-yl]naphthalen-2-ol (CID 163495302) is 4-[6-chloro-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-8-fluoro-2-(2-morpholin-4-ylethoxy)quinazolin-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-(2-morpholin-4-ylethoxy)quinazolin-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-(2-morpholin-4-ylethoxy)quinazolin-7-yl]naphthalen-2-ol is C=Cc1ncc2n1CCN(c1nc(OCCN3CCOCC3)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-(2-morpholin-4-ylethoxy)quinazolin-7-yl]naphthalen-2-ol?

The InChIKey is CQEDSJAJXPIXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30ClFN6O3/c1-2-27-35-18-21-19-39(7-8-40(21)27)31-25-17-26(33)28(24-16-22(41)15-20-5-3-4-6-23(20)24)29(34)30(25)36-32(37-31)43-14-11-38-9-12-42-13-10-38/h2-6,15-18,41H,1,7-14,19H2.

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-(2-morpholin-4-ylethoxy)quinazolin-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-(2-morpholin-4-ylethoxy)quinazolin-7-yl]naphthalen-2-ol has a molecular weight of 601.08 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 9 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-(2-morpholin-4-ylethoxy)quinazolin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 163495302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).