tert-butyl N-benzyl-N-[(8-hydroxy-3,4-dimethylquinolin-2-yl)methyl]carbamate

C24H28N2O3 — CID 135053090

IUPACtert-butyl N-benzyl-N-[(8-hydroxy-3,4-dimethylquinolin-2-yl)methyl]carbamate
SMILESCc1c(CN(Cc2ccccc2)C(=O)OC(C)(C)C)nc2c(O)cccc2c1C
InChIInChI=1S/C24H28N2O3/c1-16-17(2)20(25-22-19(16)12-9-13-21(22)27)15-26(23(28)29-24(3,4)5)14-18-10-7-6-8-11-18/h6-13,27H,14-15H2,1-5H3
InChIKeyWZKOXXAVQBERKE-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.49
Rot. Bonds4

About tert-butyl N-benzyl-N-[(8-hydroxy-3,4-dimethylquinolin-2-yl)methyl]carbamate

tert-butyl N-benzyl-N-[(8-hydroxy-3,4-dimethylquinolin-2-yl)methyl]carbamate (PubChem CID 135053090) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[(8-hydroxy-3,4-dimethylquinolin-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[(8-hydroxy-3,4-dimethylquinolin-2-yl)methyl]carbamate
PubChem CID135053090
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Nametert-butyl N-benzyl-N-[(8-hydroxy-3,4-dimethylquinolin-2-yl)methyl]carbamate
SMILESCc1c(CN(Cc2ccccc2)C(=O)OC(C)(C)C)nc2c(O)cccc2c1C
InChIInChI=1S/C24H28N2O3/c1-16-17(2)20(25-22-19(16)12-9-13-21(22)27)15-26(23(28)29-24(3,4)5)14-18-10-7-6-8-11-18/h6-13,27H,14-15H2,1-5H3
InChIKeyWZKOXXAVQBERKE-UHFFFAOYSA-N
XLogP5.49
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
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2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate
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5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
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[4-[[(2-methylpropan-2-yl)oxycarbonyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]amino]methyl]phenyl]methyl-triphenylphosphanium
CID 102024480
tert-butyl N-benzyl-N-(3,3-dimethyl-4-oxobutyl)carbamate
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tert-butyl N-benzyl-N-[2-(benzylamino)ethyl]carbamate
CID 70021346
tert-butyl N-benzyl-N-(4-methoxy-3-oxobutyl)carbamate
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tert-butyl N-benzyl-N-[6-[6-hydroxyhexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl]carbamate
CID 22006348
tert-butyl 3-[2-[2-[2-[2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 172946115

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[(8-hydroxy-3,4-dimethylquinolin-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[(8-hydroxy-3,4-dimethylquinolin-2-yl)methyl]carbamate (CID 135053090) is tert-butyl N-benzyl-N-[(8-hydroxy-3,4-dimethylquinolin-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[(8-hydroxy-3,4-dimethylquinolin-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[(8-hydroxy-3,4-dimethylquinolin-2-yl)methyl]carbamate is Cc1c(CN(Cc2ccccc2)C(=O)OC(C)(C)C)nc2c(O)cccc2c1C.
What is the InChIKey of tert-butyl N-benzyl-N-[(8-hydroxy-3,4-dimethylquinolin-2-yl)methyl]carbamate?
The InChIKey is WZKOXXAVQBERKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-16-17(2)20(25-22-19(16)12-9-13-21(22)27)15-26(23(28)29-24(3,4)5)14-18-10-7-6-8-11-18/h6-13,27H,14-15H2,1-5H3.
What are the key properties of tert-butyl N-benzyl-N-[(8-hydroxy-3,4-dimethylquinolin-2-yl)methyl]carbamate?
tert-butyl N-benzyl-N-[(8-hydroxy-3,4-dimethylquinolin-2-yl)methyl]carbamate has a molecular weight of 392.50 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-[(8-hydroxy-3,4-dimethylquinolin-2-yl)methyl]carbamate is sourced from PubChem (CID 135053090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).