[8-(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate

C31H42N2O4 — CID 77184438

IUPAC[8-(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate
SMILESCC1CCC(C(C)C)C(OC(=O)Oc2ccc3c(c2-c2c(O)ccc4c2N(C)CCC4)N(C)CCC3)C1
InChIInChI=1S/C31H42N2O4/c1-19(2)23-13-10-20(3)18-26(23)37-31(35)36-25-15-12-22-9-7-17-33(5)30(22)28(25)27-24(34)14-11-21-8-6-16-32(4)29(21)27/h11-12,14-15,19-20,23,26,34H,6-10,13,16-18H2,1-5H3
InChIKeyYPSYUECZFRZSNF-UHFFFAOYSA-N
MW506.69 g/mol
LogP6.80
Rot. Bonds4

About [8-(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate

[8-(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate (PubChem CID 77184438) has the molecular formula C31H42N2O4 and a molecular weight of 506.69 g/mol. Its IUPAC name is [8-(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate.

Molecular Properties

Compound Name[8-(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate
PubChem CID77184438
Molecular FormulaC31H42N2O4
Molecular Weight506.69 g/mol
Exact Mass506.31
IUPAC Name[8-(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate
SMILESCC1CCC(C(C)C)C(OC(=O)Oc2ccc3c(c2-c2c(O)ccc4c2N(C)CCC4)N(C)CCC3)C1
InChIInChI=1S/C31H42N2O4/c1-19(2)23-13-10-20(3)18-26(23)37-31(35)36-25-15-12-22-9-7-17-33(5)30(22)28(25)27-24(34)14-11-21-8-6-16-32(4)29(21)27/h11-12,14-15,19-20,23,26,34H,6-10,13,16-18H2,1-5H3
InChIKeyYPSYUECZFRZSNF-UHFFFAOYSA-N
XLogP6.80
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.69
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [8-(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate with MolForge

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Related Compounds

(5-methyl-2-propan-2-ylcyclohexyl) [4-[3-(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonyloxy-9H-carbazol-4-yl]-9H-carbazol-3-yl] carbonate
CID 85388952
(5-methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate
CID 22044534
3-tert-butyl-3-oxo-2H-1,3λ5-benzoxaphosphol-4-ol;[(3S)-3-tert-butyl-3-oxo-2H-1,3λ5-benzoxaphosphol-4-yl] [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] carbonate;[(3R)-3-tert-butyl-3-oxo-2H-1,3λ5-benzoxaphosphol-4-yl] [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] carbonate;methane
CID 160864383
[2-methoxy-6-[3-methoxy-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonyloxyphenyl]phenyl] [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate
CID 11433475
(3-tert-butyl-3-oxo-2H-1,3λ5-benzoxaphosphol-4-yl) (5-methyl-2-propan-2-ylcyclohexyl) carbonate
CID 123406645
[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-bromo-2-methylpropanoate
CID 172643840
[(3S)-3-(2,2-dimethylpropyl)-3-oxo-2H-1,3λ5-benzoxaphosphol-4-yl] [(1S,5S)-5-methyl-2-propan-2-ylcyclohexyl] carbonate
CID 138643556
[2-[hydroxy(2-hydroxyethoxy)methyl]phenyl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate
CID 139537824
bis[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] but-2-ynedioate
CID 11868487
[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-hydroxypropanoate
CID 42531163
ethane;[(3R)-3-methyl-3-oxo-2H-1,3λ5-benzoxaphosphol-4-yl] [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] carbonate;propane
CID 142371563
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate
CID 13308514

Frequently Asked Questions

What is the IUPAC name of [8-(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate?
The IUPAC name of [8-(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate (CID 77184438) is [8-(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate.
What is the SMILES notation for [8-(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate?
The canonical SMILES for [8-(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate is CC1CCC(C(C)C)C(OC(=O)Oc2ccc3c(c2-c2c(O)ccc4c2N(C)CCC4)N(C)CCC3)C1.
What is the InChIKey of [8-(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate?
The InChIKey is YPSYUECZFRZSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N2O4/c1-19(2)23-13-10-20(3)18-26(23)37-31(35)36-25-15-12-22-9-7-17-33(5)30(22)28(25)27-24(34)14-11-21-8-6-16-32(4)29(21)27/h11-12,14-15,19-20,23,26,34H,6-10,13,16-18H2,1-5H3.
What are the key properties of [8-(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate?
[8-(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate has a molecular weight of 506.69 g/mol, XLogP of 6.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-8-yl)-1-methyl-3,4-dihydro-2H-quinolin-7-yl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate is sourced from PubChem (CID 77184438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).