4-anilino-6-[4-[[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-7-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide

C47H43F2N7O8 — CID 159391075

About 4-anilino-6-[4-[[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-7-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide

4-anilino-6-[4-[[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-7-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide (PubChem CID 159391075) has the molecular formula C47H43F2N7O8 and a molecular weight of 871.90 g/mol. Its IUPAC name is 4-anilino-6-[4-[[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-7-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 4-anilino-6-[4-[[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-7-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide
• PubChem CID: 159391075
• Molecular Formula: C47H43F2N7O8
• Molecular Weight: 871.90 g/mol
• Exact Mass: 871.31
• IUPAC Name: 4-anilino-6-[4-[[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-7-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide
• SMILES: O=C(CCCCCNC(=O)c1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC(O)C4)cnc3cc2F)cc1F)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C47H43F2N7O8/c48-35-18-25(32-21-33-38(22-36(32)49)52-24-34(44(61)54-27-19-29(58)20-27)42(33)53-26-8-3-1-4-9-26)13-14-30(35)43(60)50-17-6-2-5-10-28(57)23-51-37-12-7-11-31-41(37)47(64)56(46(31)63)39-15-16-40(59)55-45(39)62/h1,3-4,7-9,11-14,18,21-22,24,27,29,39,51,58H,2,5-6,10,15-17,19-20,23H2,(H,50,60)(H,52,53)(H,54,61)(H,55,59,62)
• InChIKey: RHLCLQUGZYTPDY-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 216.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	871.90
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-[4-[[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-7-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide?

The IUPAC name of 4-anilino-6-[4-[[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-7-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide (CID 159391075) is 4-anilino-6-[4-[[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-7-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide.

What is the SMILES notation for 4-anilino-6-[4-[[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-7-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide?

The canonical SMILES for 4-anilino-6-[4-[[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-7-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide is O=C(CCCCCNC(=O)c1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC4CC(O)C4)cnc3cc2F)cc1F)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 4-anilino-6-[4-[[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-7-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide?

The InChIKey is RHLCLQUGZYTPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H43F2N7O8/c48-35-18-25(32-21-33-38(22-36(32)49)52-24-34(44(61)54-27-19-29(58)20-27)42(33)53-26-8-3-1-4-9-26)13-14-30(35)43(60)50-17-6-2-5-10-28(57)23-51-37-12-7-11-31-41(37)47(64)56(46(31)63)39-15-16-40(59)55-45(39)62/h1,3-4,7-9,11-14,18,21-22,24,27,29,39,51,58H,2,5-6,10,15-17,19-20,23H2,(H,50,60)(H,52,53)(H,54,61)(H,55,59,62).

What are the key properties of 4-anilino-6-[4-[[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-7-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide?

4-anilino-6-[4-[[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-7-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide has a molecular weight of 871.90 g/mol, XLogP of 5.55, 16 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-anilino-6-[4-[[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxoheptyl]carbamoyl]-3-fluorophenyl]-7-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide is sourced from PubChem (CID 159391075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).