[4-[4-(3-chloro-4-fluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxypiperidin-1-yl]-morpholin-4-ylmethanone;1-[2-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethyl]pyrrolidin-2-one

C53H60Cl2F2N10O8 — CID 118249987

About [4-[4-(3-chloro-4-fluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxypiperidin-1-yl]-morpholin-4-ylmethanone;1-[2-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethyl]pyrrolidin-2-one

[4-[4-(3-chloro-4-fluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxypiperidin-1-yl]-morpholin-4-ylmethanone;1-[2-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 118249987) has the molecular formula C53H60Cl2F2N10O8 and a molecular weight of 1074.03 g/mol. Its IUPAC name is [4-[4-(3-chloro-4-fluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxypiperidin-1-yl]-morpholin-4-ylmethanone;1-[2-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: [4-[4-(3-chloro-4-fluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxypiperidin-1-yl]-morpholin-4-ylmethanone;1-[2-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethyl]pyrrolidin-2-one
• PubChem CID: 118249987
• Molecular Formula: C53H60Cl2F2N10O8
• Molecular Weight: 1074.03 g/mol
• Exact Mass: 1072.39
• IUPAC Name: [4-[4-(3-chloro-4-fluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxypiperidin-1-yl]-morpholin-4-ylmethanone;1-[2-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethyl]pyrrolidin-2-one
• SMILES: COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)N2CCOCC2)CC1.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(CCN2CCCC2=O)CC1
• InChI: InChI=1S/C27H31ClFN5O5.C26H29ClFN5O3/c1-36-12-13-38-24-16-23-20(26(31-17-30-23)32-18-2-3-22(29)21(28)14-18)15-25(24)39-19-4-6-33(7-5-19)27(35)34-8-10-37-11-9-34;1-35-23-15-22-19(26(30-16-29-22)31-17-4-5-21(28)20(27)13-17)14-24(23)36-18-6-9-32(10-7-18)11-12-33-8-2-3-25(33)34/h2-3,14-17,19H,4-13H2,1H3,(H,30,31,32);4-5,13-16,18H,2-3,6-12H2,1H3,(H,29,30,31)
• InChIKey: OVGZKSWKXQTMAI-UHFFFAOYSA-N
• XLogP: 9.13
• TPSA: 178.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1074.03
LogP ≤ 5	9.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-chloro-4-fluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxypiperidin-1-yl]-morpholin-4-ylmethanone;1-[2-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethyl]pyrrolidin-2-one?

The IUPAC name of [4-[4-(3-chloro-4-fluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxypiperidin-1-yl]-morpholin-4-ylmethanone;1-[2-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethyl]pyrrolidin-2-one (CID 118249987) is [4-[4-(3-chloro-4-fluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxypiperidin-1-yl]-morpholin-4-ylmethanone;1-[2-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethyl]pyrrolidin-2-one.

What is the SMILES notation for [4-[4-(3-chloro-4-fluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxypiperidin-1-yl]-morpholin-4-ylmethanone;1-[2-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethyl]pyrrolidin-2-one?

The canonical SMILES for [4-[4-(3-chloro-4-fluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxypiperidin-1-yl]-morpholin-4-ylmethanone;1-[2-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethyl]pyrrolidin-2-one is COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C(=O)N2CCOCC2)CC1.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(CCN2CCCC2=O)CC1.

What is the InChIKey of [4-[4-(3-chloro-4-fluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxypiperidin-1-yl]-morpholin-4-ylmethanone;1-[2-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethyl]pyrrolidin-2-one?

The InChIKey is OVGZKSWKXQTMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClFN5O5.C26H29ClFN5O3/c1-36-12-13-38-24-16-23-20(26(31-17-30-23)32-18-2-3-22(29)21(28)14-18)15-25(24)39-19-4-6-33(7-5-19)27(35)34-8-10-37-11-9-34;1-35-23-15-22-19(26(30-16-29-22)31-17-4-5-21(28)20(27)13-17)14-24(23)36-18-6-9-32(10-7-18)11-12-33-8-2-3-25(33)34/h2-3,14-17,19H,4-13H2,1H3,(H,30,31,32);4-5,13-16,18H,2-3,6-12H2,1H3,(H,29,30,31).

What are the key properties of [4-[4-(3-chloro-4-fluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxypiperidin-1-yl]-morpholin-4-ylmethanone;1-[2-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethyl]pyrrolidin-2-one?

[4-[4-(3-chloro-4-fluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxypiperidin-1-yl]-morpholin-4-ylmethanone;1-[2-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 1074.03 g/mol, XLogP of 9.13, 16 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-(3-chloro-4-fluoroanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxypiperidin-1-yl]-morpholin-4-ylmethanone;1-[2-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 118249987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).