(Z)-1-[4-[6-chloro-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-methoxyquinazolin-4-yl]piperazin-1-yl]-2-fluoro-3-pyrimidin-2-ylprop-2-en-1-one;1-methylpyrrolidine

C35H33Cl2F2N7O2 — CID 170793617

About (Z)-1-[4-[6-chloro-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-methoxyquinazolin-4-yl]piperazin-1-yl]-2-fluoro-3-pyrimidin-2-ylprop-2-en-1-one;1-methylpyrrolidine

(Z)-1-[4-[6-chloro-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-methoxyquinazolin-4-yl]piperazin-1-yl]-2-fluoro-3-pyrimidin-2-ylprop-2-en-1-one;1-methylpyrrolidine (PubChem CID 170793617) has the molecular formula C35H33Cl2F2N7O2 and a molecular weight of 692.60 g/mol. Its IUPAC name is (Z)-1-[4-[6-chloro-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-methoxyquinazolin-4-yl]piperazin-1-yl]-2-fluoro-3-pyrimidin-2-ylprop-2-en-1-one;1-methylpyrrolidine.

Molecular Properties

• Compound Name: (Z)-1-[4-[6-chloro-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-methoxyquinazolin-4-yl]piperazin-1-yl]-2-fluoro-3-pyrimidin-2-ylprop-2-en-1-one;1-methylpyrrolidine
• PubChem CID: 170793617
• Molecular Formula: C35H33Cl2F2N7O2
• Molecular Weight: 692.60 g/mol
• Exact Mass: 691.20
• IUPAC Name: (Z)-1-[4-[6-chloro-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-methoxyquinazolin-4-yl]piperazin-1-yl]-2-fluoro-3-pyrimidin-2-ylprop-2-en-1-one;1-methylpyrrolidine
• SMILES: CN1CCCC1.COc1nc(N2CCN(C(=O)/C(F)=C/c3ncccn3)CC2)c2cc(Cl)c(-c3cccc4cccc(Cl)c34)c(F)c2n1
• InChI: InChI=1S/C30H22Cl2F2N6O2.C5H11N/c1-42-30-37-27-19(15-21(32)25(26(27)34)18-7-2-5-17-6-3-8-20(31)24(17)18)28(38-30)39-11-13-40(14-12-39)29(41)22(33)16-23-35-9-4-10-36-23;1-6-4-2-3-5-6/h2-10,15-16H,11-14H2,1H3;2-5H2,1H3/b22-16-
• InChIKey: LHKOQRGDIWYCMZ-IVVDCSPYSA-N
• XLogP: 7.07
• TPSA: 87.58 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.60
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-[6-chloro-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-methoxyquinazolin-4-yl]piperazin-1-yl]-2-fluoro-3-pyrimidin-2-ylprop-2-en-1-one;1-methylpyrrolidine?

The IUPAC name of (Z)-1-[4-[6-chloro-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-methoxyquinazolin-4-yl]piperazin-1-yl]-2-fluoro-3-pyrimidin-2-ylprop-2-en-1-one;1-methylpyrrolidine (CID 170793617) is (Z)-1-[4-[6-chloro-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-methoxyquinazolin-4-yl]piperazin-1-yl]-2-fluoro-3-pyrimidin-2-ylprop-2-en-1-one;1-methylpyrrolidine.

What is the SMILES notation for (Z)-1-[4-[6-chloro-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-methoxyquinazolin-4-yl]piperazin-1-yl]-2-fluoro-3-pyrimidin-2-ylprop-2-en-1-one;1-methylpyrrolidine?

The canonical SMILES for (Z)-1-[4-[6-chloro-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-methoxyquinazolin-4-yl]piperazin-1-yl]-2-fluoro-3-pyrimidin-2-ylprop-2-en-1-one;1-methylpyrrolidine is CN1CCCC1.COc1nc(N2CCN(C(=O)/C(F)=C/c3ncccn3)CC2)c2cc(Cl)c(-c3cccc4cccc(Cl)c34)c(F)c2n1.

What is the InChIKey of (Z)-1-[4-[6-chloro-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-methoxyquinazolin-4-yl]piperazin-1-yl]-2-fluoro-3-pyrimidin-2-ylprop-2-en-1-one;1-methylpyrrolidine?

The InChIKey is LHKOQRGDIWYCMZ-IVVDCSPYSA-N. The full InChI is InChI=1S/C30H22Cl2F2N6O2.C5H11N/c1-42-30-37-27-19(15-21(32)25(26(27)34)18-7-2-5-17-6-3-8-20(31)24(17)18)28(38-30)39-11-13-40(14-12-39)29(41)22(33)16-23-35-9-4-10-36-23;1-6-4-2-3-5-6/h2-10,15-16H,11-14H2,1H3;2-5H2,1H3/b22-16-;.

What are the key properties of (Z)-1-[4-[6-chloro-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-methoxyquinazolin-4-yl]piperazin-1-yl]-2-fluoro-3-pyrimidin-2-ylprop-2-en-1-one;1-methylpyrrolidine?

(Z)-1-[4-[6-chloro-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-methoxyquinazolin-4-yl]piperazin-1-yl]-2-fluoro-3-pyrimidin-2-ylprop-2-en-1-one;1-methylpyrrolidine has a molecular weight of 692.60 g/mol, XLogP of 7.07, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1-[4-[6-chloro-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-methoxyquinazolin-4-yl]piperazin-1-yl]-2-fluoro-3-pyrimidin-2-ylprop-2-en-1-one;1-methylpyrrolidine is sourced from PubChem (CID 170793617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).