tert-butyl N-[4-[(1S)-1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]carbamate

C23H32N2O4 — CID 68631993

IUPACtert-butyl N-[4-[(1S)-1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]carbamate
SMILESCOc1ccc2nccc(C[C@H](O)C3CCC(NC(=O)OC(C)(C)C)CC3)c2c1
InChIInChI=1S/C23H32N2O4/c1-23(2,3)29-22(27)25-17-7-5-15(6-8-17)21(26)13-16-11-12-24-20-10-9-18(28-4)14-19(16)20/h9-12,14-15,17,21,26H,5-8,13H2,1-4H3,(H,25,27)/t15?,17?,21-/m0/s1
InChIKeyBIFIVZFDNZHUKR-GRXDXKALSA-N
MW400.52 g/mol
LogP4.23
Rot. Bonds5

About tert-butyl N-[4-[(1S)-1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]carbamate

tert-butyl N-[4-[(1S)-1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]carbamate (PubChem CID 68631993) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is tert-butyl N-[4-[(1S)-1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(1S)-1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]carbamate
PubChem CID68631993
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Nametert-butyl N-[4-[(1S)-1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]carbamate
SMILESCOc1ccc2nccc(C[C@H](O)C3CCC(NC(=O)OC(C)(C)C)CC3)c2c1
InChIInChI=1S/C23H32N2O4/c1-23(2,3)29-22(27)25-17-7-5-15(6-8-17)21(26)13-16-11-12-24-20-10-9-18(28-4)14-19(16)20/h9-12,14-15,17,21,26H,5-8,13H2,1-4H3,(H,25,27)/t15?,17?,21-/m0/s1
InChIKeyBIFIVZFDNZHUKR-GRXDXKALSA-N
XLogP4.23
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-[(1S)-1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-(2-cyclopentyl-2-hydroxyethyl)-4-methoxyphenyl]carbamate
CID 67684676
tert-butyl N-[4-[(9-methoxy-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-yl)methyl]cyclohexyl]carbamate
CID 86730705
[1-[8-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methylpropan-2-yl]carbamic acid
CID 68743893
tert-butyl N-[4-[3-(3-chloro-6-methoxyquinolin-4-yl)prop-1-enyl]cyclohexyl]carbamate
CID 71118498
tert-butyl N-[(3R,6S)-6-[2-(3-fluoro-6-methoxyquinolin-4-yl)-1,2-dihydroxyethyl]oxan-3-yl]carbamate
CID 67366628
tert-butyl N-[(1S,3S)-3-[(6-methoxy-4-methylquinolin-2-yl)amino]cyclopentyl]carbamate
CID 86608909
[4-[1-hydroxy-3-(3-hydroxy-6-methoxyquinolin-4-yl)propan-2-yl]cyclohexyl]carbamic acid
CID 154156472
1-cyclopropyl-2-quinolin-4-ylethanol
CID 63353390
N-[2-(6-methoxyquinolin-4-yl)ethyl]cyclopropanecarboxamide
CID 19709964
tert-butyl-[[1-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-yl]methyl]carbamic acid
CID 68748239
(2R)-1-[(3R,4S)-3-ethenylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-ol
CID 165341819
tert-butyl N-[4-[2-(6-methoxyquinolin-5-yl)ethenyl]cyclohexyl]carbamate
CID 68617908

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(1S)-1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(1S)-1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]carbamate (CID 68631993) is tert-butyl N-[4-[(1S)-1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(1S)-1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(1S)-1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]carbamate is COc1ccc2nccc(C[C@H](O)C3CCC(NC(=O)OC(C)(C)C)CC3)c2c1.
What is the InChIKey of tert-butyl N-[4-[(1S)-1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]carbamate?
The InChIKey is BIFIVZFDNZHUKR-GRXDXKALSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-23(2,3)29-22(27)25-17-7-5-15(6-8-17)21(26)13-16-11-12-24-20-10-9-18(28-4)14-19(16)20/h9-12,14-15,17,21,26H,5-8,13H2,1-4H3,(H,25,27)/t15?,17?,21-/m0/s1.
What are the key properties of tert-butyl N-[4-[(1S)-1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]carbamate?
tert-butyl N-[4-[(1S)-1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]carbamate has a molecular weight of 400.52 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(1S)-1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]carbamate is sourced from PubChem (CID 68631993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).