cyclohexyl N-[1-benzyl-6-(1-methyltetrazol-5-yl)-3,4-dihydro-2H-quinolin-3-yl]carbamate

C25H30N6O2 — CID 59297046

IUPACcyclohexyl N-[1-benzyl-6-(1-methyltetrazol-5-yl)-3,4-dihydro-2H-quinolin-3-yl]carbamate
SMILESCn1nnnc1-c1ccc2c(c1)CC(NC(=O)OC1CCCCC1)CN2Cc1ccccc1
InChIInChI=1S/C25H30N6O2/c1-30-24(27-28-29-30)19-12-13-23-20(14-19)15-21(17-31(23)16-18-8-4-2-5-9-18)26-25(32)33-22-10-6-3-7-11-22/h2,4-5,8-9,12-14,21-22H,3,6-7,10-11,15-17H2,1H3,(H,26,32)
InChIKeyDRDJYEXXOKQAKY-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.87
Rot. Bonds5

About cyclohexyl N-[1-benzyl-6-(1-methyltetrazol-5-yl)-3,4-dihydro-2H-quinolin-3-yl]carbamate

cyclohexyl N-[1-benzyl-6-(1-methyltetrazol-5-yl)-3,4-dihydro-2H-quinolin-3-yl]carbamate (PubChem CID 59297046) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is cyclohexyl N-[1-benzyl-6-(1-methyltetrazol-5-yl)-3,4-dihydro-2H-quinolin-3-yl]carbamate.

Molecular Properties

Compound Namecyclohexyl N-[1-benzyl-6-(1-methyltetrazol-5-yl)-3,4-dihydro-2H-quinolin-3-yl]carbamate
PubChem CID59297046
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Namecyclohexyl N-[1-benzyl-6-(1-methyltetrazol-5-yl)-3,4-dihydro-2H-quinolin-3-yl]carbamate
SMILESCn1nnnc1-c1ccc2c(c1)CC(NC(=O)OC1CCCCC1)CN2Cc1ccccc1
InChIInChI=1S/C25H30N6O2/c1-30-24(27-28-29-30)19-12-13-23-20(14-19)15-21(17-31(23)16-18-8-4-2-5-9-18)26-25(32)33-22-10-6-3-7-11-22/h2,4-5,8-9,12-14,21-22H,3,6-7,10-11,15-17H2,1H3,(H,26,32)
InChIKeyDRDJYEXXOKQAKY-UHFFFAOYSA-N
XLogP3.87
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze cyclohexyl N-[1-benzyl-6-(1-methyltetrazol-5-yl)-3,4-dihydro-2H-quinolin-3-yl]carbamate with MolForge

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Related Compounds

cyclohexyl N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]carbamate
CID 11604237
(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid
CID 66757512
tert-butyl N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)carbamate
CID 59297053
(2R)-N-[(3R)-1-benzyl-6-(4-fluorophenyl)-3,4-dihydro-2H-quinolin-3-yl]-2-hydroxy-3-phenylpropanamide
CID 140527214
N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-(3,5-dimethoxyphenyl)acetamide
CID 68582624
N-(1-benzyl-6-isocyano-3,4-dihydro-2H-quinolin-3-yl)-2-cyclohexylacetamide
CID 58674918
N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide
CID 68580895
N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-phenylmethoxypropanamide
CID 68580973
methyl 1-[[3-(1-methyltetrazol-5-yl)phenyl]methyl]cyclobutane-1-carboxylate
CID 23384154
N-[1-benzyl-6-(4-fluorophenyl)-3,4-dihydro-2H-quinolin-3-yl]-1-phenylmethanesulfonamide
CID 52932427
cyclopentyl N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)carbamate
CID 155875097
(1-benzyl-2,3-dihydroindol-5-yl) N-cyclooctylcarbamate
CID 46866348

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-[1-benzyl-6-(1-methyltetrazol-5-yl)-3,4-dihydro-2H-quinolin-3-yl]carbamate?
The IUPAC name of cyclohexyl N-[1-benzyl-6-(1-methyltetrazol-5-yl)-3,4-dihydro-2H-quinolin-3-yl]carbamate (CID 59297046) is cyclohexyl N-[1-benzyl-6-(1-methyltetrazol-5-yl)-3,4-dihydro-2H-quinolin-3-yl]carbamate.
What is the SMILES notation for cyclohexyl N-[1-benzyl-6-(1-methyltetrazol-5-yl)-3,4-dihydro-2H-quinolin-3-yl]carbamate?
The canonical SMILES for cyclohexyl N-[1-benzyl-6-(1-methyltetrazol-5-yl)-3,4-dihydro-2H-quinolin-3-yl]carbamate is Cn1nnnc1-c1ccc2c(c1)CC(NC(=O)OC1CCCCC1)CN2Cc1ccccc1.
What is the InChIKey of cyclohexyl N-[1-benzyl-6-(1-methyltetrazol-5-yl)-3,4-dihydro-2H-quinolin-3-yl]carbamate?
The InChIKey is DRDJYEXXOKQAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-30-24(27-28-29-30)19-12-13-23-20(14-19)15-21(17-31(23)16-18-8-4-2-5-9-18)26-25(32)33-22-10-6-3-7-11-22/h2,4-5,8-9,12-14,21-22H,3,6-7,10-11,15-17H2,1H3,(H,26,32).
What are the key properties of cyclohexyl N-[1-benzyl-6-(1-methyltetrazol-5-yl)-3,4-dihydro-2H-quinolin-3-yl]carbamate?
cyclohexyl N-[1-benzyl-6-(1-methyltetrazol-5-yl)-3,4-dihydro-2H-quinolin-3-yl]carbamate has a molecular weight of 446.56 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-[1-benzyl-6-(1-methyltetrazol-5-yl)-3,4-dihydro-2H-quinolin-3-yl]carbamate is sourced from PubChem (CID 59297046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).