4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[(1S,5S)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol

C32H35ClFN5O2 — CID 175637187

About 4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[(1S,5S)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol

4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[(1S,5S)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol (PubChem CID 175637187) has the molecular formula C32H35ClFN5O2 and a molecular weight of 576.12 g/mol. Its IUPAC name is 4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[(1S,5S)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[(1S,5S)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol
• PubChem CID: 175637187
• Molecular Formula: C32H35ClFN5O2
• Molecular Weight: 576.12 g/mol
• Exact Mass: 575.25
• IUPAC Name: 4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[(1S,5S)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol
• SMILES: CN(C)CC1(COc2nc(N3C[C@@H]4CC[C@@](C)(C3)N4)c3cc(Cl)c(-c4cc(O)cc5ccccc45)c(F)c3n2)CC1
• InChI: InChI=1S/C32H35ClFN5O2/c1-31-9-8-20(37-31)15-39(16-31)29-24-14-25(33)26(23-13-21(40)12-19-6-4-5-7-22(19)23)27(34)28(24)35-30(36-29)41-18-32(10-11-32)17-38(2)3/h4-7,12-14,20,37,40H,8-11,15-18H2,1-3H3/t20-,31-/m0/s1
• InChIKey: FDEORNWLZWSPBF-GEFUHLBYSA-N
• XLogP: 6.00
• TPSA: 73.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.12
LogP ≤ 5	6.00
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-[(1S,5S)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol?

The IUPAC name of 4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[(1S,5S)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol (CID 175637187) is 4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[(1S,5S)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-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-[(1S,5S)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol?

The canonical SMILES for 4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[(1S,5S)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol is CN(C)CC1(COc2nc(N3C[C@@H]4CC[C@@](C)(C3)N4)c3cc(Cl)c(-c4cc(O)cc5ccccc45)c(F)c3n2)CC1.

What is the InChIKey of 4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[(1S,5S)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol?

The InChIKey is FDEORNWLZWSPBF-GEFUHLBYSA-N. The full InChI is InChI=1S/C32H35ClFN5O2/c1-31-9-8-20(37-31)15-39(16-31)29-24-14-25(33)26(23-13-21(40)12-19-6-4-5-7-22(19)23)27(34)28(24)35-30(36-29)41-18-32(10-11-32)17-38(2)3/h4-7,12-14,20,37,40H,8-11,15-18H2,1-3H3/t20-,31-/m0/s1.

What are the key properties of 4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[(1S,5S)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol?

4-[6-chloro-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoro-4-[(1S,5S)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol has a molecular weight of 576.12 g/mol, XLogP of 6.00, 7 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-[(1S,5S)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 175637187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).