(2,2,4-trimethyl-1H-quinolin-6-yl) N-cyclohexylcarbamate

C19H26N2O2 — CID 737972

IUPAC(2,2,4-trimethyl-1H-quinolin-6-yl) N-cyclohexylcarbamate
SMILESCC1=CC(C)(C)Nc2ccc(OC(=O)NC3CCCCC3)cc21
InChIInChI=1S/C19H26N2O2/c1-13-12-19(2,3)21-17-10-9-15(11-16(13)17)23-18(22)20-14-7-5-4-6-8-14/h9-12,14,21H,4-8H2,1-3H3,(H,20,22)
InChIKeyDXICXPWESAKUNL-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.72
Rot. Bonds2

About (2,2,4-trimethyl-1H-quinolin-6-yl) N-cyclohexylcarbamate

(2,2,4-trimethyl-1H-quinolin-6-yl) N-cyclohexylcarbamate (PubChem CID 737972) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (2,2,4-trimethyl-1H-quinolin-6-yl) N-cyclohexylcarbamate.

Molecular Properties

Compound Name(2,2,4-trimethyl-1H-quinolin-6-yl) N-cyclohexylcarbamate
PubChem CID737972
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(2,2,4-trimethyl-1H-quinolin-6-yl) N-cyclohexylcarbamate
SMILESCC1=CC(C)(C)Nc2ccc(OC(=O)NC3CCCCC3)cc21
InChIInChI=1S/C19H26N2O2/c1-13-12-19(2,3)21-17-10-9-15(11-16(13)17)23-18(22)20-14-7-5-4-6-8-14/h9-12,14,21H,4-8H2,1-3H3,(H,20,22)
InChIKeyDXICXPWESAKUNL-UHFFFAOYSA-N
XLogP4.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6-ethylnaphthalen-2-yl) N-cyclohexylcarbamate
CID 11098519
phenyl N-cyclooctylcarbamate
CID 60636968
[4-(dimethylcarbamoylamino)phenyl] N-cyclohexylcarbamate
CID 165343962
phenyl N-cyclopentylcarbamate
CID 12791466
(3-phenylphenyl) N-cyclopentylcarbamate
CID 24881674
[2-(2,5-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl] N-cyclobutylcarbamate
CID 90185551
(4-isothiocyanatophenyl) N-cyclohexylcarbamate
CID 21489003
ethyl 5-[4-(cyclohexylcarbamoyloxy)phenyl]-1-methylpyrazole-3-carboxylate
CID 118736176
[3-(3-carbamoylphenyl)-4-(dihydroxymethyl)phenyl] N-cyclohexylcarbamate
CID 126735819
[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] N-cyclohexylcarbamate
CID 69174143
[3-(1,3-oxazol-4-yl)phenyl] N-cyclohexylcarbamate
CID 69173921
[3-[3-(2-hydroxyethyl)phenyl]phenyl] N-cyclohexylcarbamate
CID 11405051

Frequently Asked Questions

What is the IUPAC name of (2,2,4-trimethyl-1H-quinolin-6-yl) N-cyclohexylcarbamate?
The IUPAC name of (2,2,4-trimethyl-1H-quinolin-6-yl) N-cyclohexylcarbamate (CID 737972) is (2,2,4-trimethyl-1H-quinolin-6-yl) N-cyclohexylcarbamate.
What is the SMILES notation for (2,2,4-trimethyl-1H-quinolin-6-yl) N-cyclohexylcarbamate?
The canonical SMILES for (2,2,4-trimethyl-1H-quinolin-6-yl) N-cyclohexylcarbamate is CC1=CC(C)(C)Nc2ccc(OC(=O)NC3CCCCC3)cc21.
What is the InChIKey of (2,2,4-trimethyl-1H-quinolin-6-yl) N-cyclohexylcarbamate?
The InChIKey is DXICXPWESAKUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13-12-19(2,3)21-17-10-9-15(11-16(13)17)23-18(22)20-14-7-5-4-6-8-14/h9-12,14,21H,4-8H2,1-3H3,(H,20,22).
What are the key properties of (2,2,4-trimethyl-1H-quinolin-6-yl) N-cyclohexylcarbamate?
(2,2,4-trimethyl-1H-quinolin-6-yl) N-cyclohexylcarbamate has a molecular weight of 314.43 g/mol, XLogP of 4.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,4-trimethyl-1H-quinolin-6-yl) N-cyclohexylcarbamate is sourced from PubChem (CID 737972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).