tert-butyl N-[4-[(E)-2-(6-methoxyquinolin-5-yl)ethenyl]cyclohexyl]carbamate

C23H30N2O3 — CID 68617905

IUPACtert-butyl N-[4-[(E)-2-(6-methoxyquinolin-5-yl)ethenyl]cyclohexyl]carbamate
SMILESCOc1ccc2ncccc2c1/C=C/C1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H30N2O3/c1-23(2,3)28-22(26)25-17-10-7-16(8-11-17)9-12-19-18-6-5-15-24-20(18)13-14-21(19)27-4/h5-6,9,12-17H,7-8,10-11H2,1-4H3,(H,25,26)/b12-9+
InChIKeyBFERSAFYJVXFBV-FMIVXFBMSA-N
MW382.50 g/mol
LogP5.34
Rot. Bonds4

About tert-butyl N-[4-[(E)-2-(6-methoxyquinolin-5-yl)ethenyl]cyclohexyl]carbamate

tert-butyl N-[4-[(E)-2-(6-methoxyquinolin-5-yl)ethenyl]cyclohexyl]carbamate (PubChem CID 68617905) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is tert-butyl N-[4-[(E)-2-(6-methoxyquinolin-5-yl)ethenyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(E)-2-(6-methoxyquinolin-5-yl)ethenyl]cyclohexyl]carbamate
PubChem CID68617905
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Nametert-butyl N-[4-[(E)-2-(6-methoxyquinolin-5-yl)ethenyl]cyclohexyl]carbamate
SMILESCOc1ccc2ncccc2c1/C=C/C1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H30N2O3/c1-23(2,3)28-22(26)25-17-10-7-16(8-11-17)9-12-19-18-6-5-15-24-20(18)13-14-21(19)27-4/h5-6,9,12-17H,7-8,10-11H2,1-4H3,(H,25,26)/b12-9+
InChIKeyBFERSAFYJVXFBV-FMIVXFBMSA-N
XLogP5.34
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-[(E)-2-(6-methoxyquinolin-5-yl)ethenyl]cyclohexyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[4-[2-(6-methoxyquinolin-5-yl)ethenyl]cyclohexyl]carbamate
CID 68617908
tert-butyl N-[4-[2-(3-methoxyquinoxalin-5-yl)ethenyl]cyclohexyl]carbamate
CID 68618535
tert-butyl N-[4-[3-(3-chloro-6-methoxyquinolin-4-yl)prop-1-enyl]cyclohexyl]carbamate
CID 71118498
tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 86277343
tert-butyl N-[4-[(1S)-1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]carbamate
CID 68631993
tert-butyl N-[4-[(3-methyl-2-pyridinyl)methylamino]cyclohexyl]carbamate
CID 58997040
tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane
CID 91059787
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-[3-[(2,3,4-trimethoxybenzoyl)amino]cyclobutyl]carbamate
CID 146142219
tert-butyl N-[1-(3-chloroquinolin-4-yl)piperidin-4-yl]carbamate
CID 139326760
2-trimethylsilylethyl (E)-3-(6-methoxyquinolin-5-yl)prop-2-enoate
CID 169432205
tert-butyl N-[(3S)-1-(6-pyrimidin-2-ylquinolin-4-yl)piperidin-3-yl]carbamate
CID 123553559

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(E)-2-(6-methoxyquinolin-5-yl)ethenyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(E)-2-(6-methoxyquinolin-5-yl)ethenyl]cyclohexyl]carbamate (CID 68617905) is tert-butyl N-[4-[(E)-2-(6-methoxyquinolin-5-yl)ethenyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(E)-2-(6-methoxyquinolin-5-yl)ethenyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(E)-2-(6-methoxyquinolin-5-yl)ethenyl]cyclohexyl]carbamate is COc1ccc2ncccc2c1/C=C/C1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[(E)-2-(6-methoxyquinolin-5-yl)ethenyl]cyclohexyl]carbamate?
The InChIKey is BFERSAFYJVXFBV-FMIVXFBMSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-23(2,3)28-22(26)25-17-10-7-16(8-11-17)9-12-19-18-6-5-15-24-20(18)13-14-21(19)27-4/h5-6,9,12-17H,7-8,10-11H2,1-4H3,(H,25,26)/b12-9+.
What are the key properties of tert-butyl N-[4-[(E)-2-(6-methoxyquinolin-5-yl)ethenyl]cyclohexyl]carbamate?
tert-butyl N-[4-[(E)-2-(6-methoxyquinolin-5-yl)ethenyl]cyclohexyl]carbamate has a molecular weight of 382.50 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(E)-2-(6-methoxyquinolin-5-yl)ethenyl]cyclohexyl]carbamate is sourced from PubChem (CID 68617905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).