4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[3-(2-hydroxypropyl)-5-methylpiperidin-1-yl]quinazolin-7-yl]naphthalen-2-ol

C34H40ClFN4O3 — CID 175637182

About 4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[3-(2-hydroxypropyl)-5-methylpiperidin-1-yl]quinazolin-7-yl]naphthalen-2-ol

4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[3-(2-hydroxypropyl)-5-methylpiperidin-1-yl]quinazolin-7-yl]naphthalen-2-ol (PubChem CID 175637182) has the molecular formula C34H40ClFN4O3 and a molecular weight of 607.17 g/mol. Its IUPAC name is 4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[3-(2-hydroxypropyl)-5-methylpiperidin-1-yl]quinazolin-7-yl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[3-(2-hydroxypropyl)-5-methylpiperidin-1-yl]quinazolin-7-yl]naphthalen-2-ol
• PubChem CID: 175637182
• Molecular Formula: C34H40ClFN4O3
• Molecular Weight: 607.17 g/mol
• Exact Mass: 606.28
• IUPAC Name: 4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[3-(2-hydroxypropyl)-5-methylpiperidin-1-yl]quinazolin-7-yl]naphthalen-2-ol
• SMILES: CC(O)CC1CC(C)CN(c2nc(OCC3(CN(C)C)CC3)nc3c(F)c(-c4cc(O)cc5ccccc45)c(Cl)cc23)C1
• InChI: InChI=1S/C34H40ClFN4O3/c1-20-11-22(12-21(2)41)17-40(16-20)32-27-15-28(35)29(26-14-24(42)13-23-7-5-6-8-25(23)26)30(36)31(27)37-33(38-32)43-19-34(9-10-34)18-39(3)4/h5-8,13-15,20-22,41-42H,9-12,16-19H2,1-4H3
• InChIKey: DYIZRVPAYRJICF-UHFFFAOYSA-N
• XLogP: 6.90
• TPSA: 81.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.17
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[3-(2-hydroxypropyl)-5-methylpiperidin-1-yl]quinazolin-7-yl]naphthalen-2-ol?

The IUPAC name of 4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[3-(2-hydroxypropyl)-5-methylpiperidin-1-yl]quinazolin-7-yl]naphthalen-2-ol (CID 175637182) is 4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[3-(2-hydroxypropyl)-5-methylpiperidin-1-yl]quinazolin-7-yl]naphthalen-2-ol.

What is the SMILES notation for 4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[3-(2-hydroxypropyl)-5-methylpiperidin-1-yl]quinazolin-7-yl]naphthalen-2-ol?

The canonical SMILES for 4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[3-(2-hydroxypropyl)-5-methylpiperidin-1-yl]quinazolin-7-yl]naphthalen-2-ol is CC(O)CC1CC(C)CN(c2nc(OCC3(CN(C)C)CC3)nc3c(F)c(-c4cc(O)cc5ccccc45)c(Cl)cc23)C1.

What is the InChIKey of 4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[3-(2-hydroxypropyl)-5-methylpiperidin-1-yl]quinazolin-7-yl]naphthalen-2-ol?

The InChIKey is DYIZRVPAYRJICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40ClFN4O3/c1-20-11-22(12-21(2)41)17-40(16-20)32-27-15-28(35)29(26-14-24(42)13-23-7-5-6-8-25(23)26)30(36)31(27)37-33(38-32)43-19-34(9-10-34)18-39(3)4/h5-8,13-15,20-22,41-42H,9-12,16-19H2,1-4H3.

What are the key properties of 4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[3-(2-hydroxypropyl)-5-methylpiperidin-1-yl]quinazolin-7-yl]naphthalen-2-ol?

4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[3-(2-hydroxypropyl)-5-methylpiperidin-1-yl]quinazolin-7-yl]naphthalen-2-ol has a molecular weight of 607.17 g/mol, XLogP of 6.90, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[3-(2-hydroxypropyl)-5-methylpiperidin-1-yl]quinazolin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 175637182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).