(2R)-N-[4-chloro-3-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide

C43H45ClFN5O6 — CID 166955716

IUPAC(2R)-N-[4-chloro-3-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)c(OCCCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C43H45ClFN5O6/c1-25(26-9-11-27(12-10-26)30-19-21-47-34-16-13-28(45)23-32(30)34)40(52)48-29-14-15-33(44)37(24-29)56-22-5-3-2-4-20-46-35-8-6-7-31-39(35)43(55)50(42(31)54)36-17-18-38(51)49-41(36)53/h6-8,13-16,19,21,23-27,36,46H,2-5,9-12,17-18,20,22H2,1H3,(H,48,52)(H,49,51,53)/t25-,26?,27?,36?/m1/s1
InChIKeyUQDPFUPIFPNVPE-GYZGZUMBSA-N
MW782.31 g/mol
LogP8.03
Rot. Bonds14

About (2R)-N-[4-chloro-3-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide

(2R)-N-[4-chloro-3-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide (PubChem CID 166955716) has the molecular formula C43H45ClFN5O6 and a molecular weight of 782.31 g/mol. Its IUPAC name is (2R)-N-[4-chloro-3-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[4-chloro-3-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
PubChem CID166955716
Molecular FormulaC43H45ClFN5O6
Molecular Weight782.31 g/mol
Exact Mass781.30
IUPAC Name(2R)-N-[4-chloro-3-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)c(OCCCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C43H45ClFN5O6/c1-25(26-9-11-27(12-10-26)30-19-21-47-34-16-13-28(45)23-32(30)34)40(52)48-29-14-15-33(44)37(24-29)56-22-5-3-2-4-20-46-35-8-6-7-31-39(35)43(55)50(42(31)54)36-17-18-38(51)49-41(36)53/h6-8,13-16,19,21,23-27,36,46H,2-5,9-12,17-18,20,22H2,1H3,(H,48,52)(H,49,51,53)/t25-,26?,27?,36?/m1/s1
InChIKeyUQDPFUPIFPNVPE-GYZGZUMBSA-N
XLogP8.03
TPSA146.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.31
LogP ≤ 58.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R)-N-[4-chloro-3-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-chloro-3-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
The IUPAC name of (2R)-N-[4-chloro-3-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide (CID 166955716) is (2R)-N-[4-chloro-3-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide.
What is the SMILES notation for (2R)-N-[4-chloro-3-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
The canonical SMILES for (2R)-N-[4-chloro-3-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide is C[C@@H](C(=O)Nc1ccc(Cl)c(OCCCCCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of (2R)-N-[4-chloro-3-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
The InChIKey is UQDPFUPIFPNVPE-GYZGZUMBSA-N. The full InChI is InChI=1S/C43H45ClFN5O6/c1-25(26-9-11-27(12-10-26)30-19-21-47-34-16-13-28(45)23-32(30)34)40(52)48-29-14-15-33(44)37(24-29)56-22-5-3-2-4-20-46-35-8-6-7-31-39(35)43(55)50(42(31)54)36-17-18-38(51)49-41(36)53/h6-8,13-16,19,21,23-27,36,46H,2-5,9-12,17-18,20,22H2,1H3,(H,48,52)(H,49,51,53)/t25-,26?,27?,36?/m1/s1.
What are the key properties of (2R)-N-[4-chloro-3-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
(2R)-N-[4-chloro-3-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide has a molecular weight of 782.31 g/mol, XLogP of 8.03, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-chloro-3-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide is sourced from PubChem (CID 166955716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).