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

C42H43FN4O7 — CID 162704245

IUPAC(2R)-N-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(OCCOCCCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C42H43FN4O7/c1-25(26-7-9-27(10-8-26)32-19-20-44-35-16-11-29(43)24-34(32)35)39(49)45-30-12-14-31(15-13-30)54-23-22-53-21-3-5-28-4-2-6-33-38(28)42(52)47(41(33)51)36-17-18-37(48)46-40(36)50/h2,4,6,11-16,19-20,24-27,36H,3,5,7-10,17-18,21-23H2,1H3,(H,45,49)(H,46,48,50)/t25-,26?,27?,36?/m1/s1
InChIKeyNCCJGNLSOCEHMT-GYZGZUMBSA-N
MW734.82 g/mol
LogP6.35
Rot. Bonds13

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

(2R)-N-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide (PubChem CID 162704245) has the molecular formula C42H43FN4O7 and a molecular weight of 734.82 g/mol. Its IUPAC name is (2R)-N-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
PubChem CID162704245
Molecular FormulaC42H43FN4O7
Molecular Weight734.82 g/mol
Exact Mass734.31
IUPAC Name(2R)-N-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(OCCOCCCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C42H43FN4O7/c1-25(26-7-9-27(10-8-26)32-19-20-44-35-16-11-29(43)24-34(32)35)39(49)45-30-12-14-31(15-13-30)54-23-22-53-21-3-5-28-4-2-6-33-38(28)42(52)47(41(33)51)36-17-18-37(48)46-40(36)50/h2,4,6,11-16,19-20,24-27,36H,3,5,7-10,17-18,21-23H2,1H3,(H,45,49)(H,46,48,50)/t25-,26?,27?,36?/m1/s1
InChIKeyNCCJGNLSOCEHMT-GYZGZUMBSA-N
XLogP6.35
TPSA144.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.82
LogP ≤ 56.35
H-Bond Donors ≤ 52
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-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide with MolForge

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Related Compounds

4-[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]-2-fluoro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 90675379
[1-[2-(Dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] 4-benzhydrylpiperazine-1-carboxylate
CID 10580160
1-[(2-dimethylaminoethyl)aminocarbonyl]-5,6-dimethyl-9-(5-benzyloxycarbonylpentan-oyloxy)-6H-pyrido[4,3-b]carbazole
CID 10675002
1-O-benzyl 4-O-[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] butanedioate
CID 11801103
9-[3-(5-fluoro-1H-indol-3-yl)propyl-(2-methylpropyl)amino]-2,3,4,8,9,10-hexahydropyrano[2,3-h]isoquinolin-1-one
CID 15980807
2-fluoro-4-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 117986194
4-[(4,7-dioxo-13-phenylmethoxy-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]-N-hydroxybenzamide
CID 118884644
CID 166176927
CID 166176927
N-[1-(dipentylamino)-1-oxo-3-(5-phenylmethoxy-1H-indol-3-yl)propan-2-yl]quinoline-3-carboxamide
CID 23129945
N-[2-(dimethylamino)ethyl]-5,6-dimethyl-9-[[(2S)-2-phenylcyclopropyl]methoxy]pyrido[4,3-b]carbazole-1-carboxamide
CID 44309925
N-(trans-4-(2-(8-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl)cyclohexyl)quinoline-4-carboxamide
CID 44406616
N-(trans-4-(2-(8-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl)cyclohexyl)isoquinoline-3-carboxamide
CID 44406647

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
The IUPAC name of (2R)-N-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide (CID 162704245) is (2R)-N-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide.
What is the SMILES notation for (2R)-N-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
The canonical SMILES for (2R)-N-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide is C[C@@H](C(=O)Nc1ccc(OCCOCCCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of (2R)-N-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
The InChIKey is NCCJGNLSOCEHMT-GYZGZUMBSA-N. The full InChI is InChI=1S/C42H43FN4O7/c1-25(26-7-9-27(10-8-26)32-19-20-44-35-16-11-29(43)24-34(32)35)39(49)45-30-12-14-31(15-13-30)54-23-22-53-21-3-5-28-4-2-6-33-38(28)42(52)47(41(33)51)36-17-18-37(48)46-40(36)50/h2,4,6,11-16,19-20,24-27,36H,3,5,7-10,17-18,21-23H2,1H3,(H,45,49)(H,46,48,50)/t25-,26?,27?,36?/m1/s1.
What are the key properties of (2R)-N-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
(2R)-N-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide has a molecular weight of 734.82 g/mol, XLogP of 6.35, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide is sourced from PubChem (CID 162704245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).