tert-butyl N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]carbamate

C22H28N2O2 — CID 141205583

IUPACtert-butyl N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]carbamate
SMILESCc1ccccc1N1CCCc2ccc(CNC(=O)OC(C)(C)C)cc21
InChIInChI=1S/C22H28N2O2/c1-16-8-5-6-10-19(16)24-13-7-9-18-12-11-17(14-20(18)24)15-23-21(25)26-22(2,3)4/h5-6,8,10-12,14H,7,9,13,15H2,1-4H3,(H,23,25)
InChIKeyQXCONLILLUNAQK-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.10
Rot. Bonds3

About tert-butyl N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]carbamate

tert-butyl N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]carbamate (PubChem CID 141205583) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is tert-butyl N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]carbamate
PubChem CID141205583
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Nametert-butyl N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]carbamate
SMILESCc1ccccc1N1CCCc2ccc(CNC(=O)OC(C)(C)C)cc21
InChIInChI=1S/C22H28N2O2/c1-16-8-5-6-10-19(16)24-13-7-9-18-12-11-17(14-20(18)24)15-23-21(25)26-22(2,3)4/h5-6,8,10-12,14H,7,9,13,15H2,1-4H3,(H,23,25)
InChIKeyQXCONLILLUNAQK-UHFFFAOYSA-N
XLogP5.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
CID 112757446
tert-butyl N-[2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)ethyl]carbamate
CID 84551509
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamic acid
CID 143553778
tert-butyl N-(3,4-dihydro-2H-quinolin-1-yl)carbamate
CID 150205749
tert-butyl N-[4-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-4-oxobutyl]carbamate
CID 52585740
tert-butyl N-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylethyl]carbamate
CID 84553563
tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
CID 66616766
tert-butyl N-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]carbamate
CID 67259861
tert-butyl N-[[3-[ethyl(pyrrolidin-1-yl)carbamoyl]phenyl]methyl]carbamate
CID 67417456
tert-butyl N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]carbamate
CID 21018889
tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate
CID 8868940
tert-butyl N-[[3-(cyclobutylmethylamino)phenyl]methyl]carbamate
CID 107244633

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]carbamate (CID 141205583) is tert-butyl N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]carbamate is Cc1ccccc1N1CCCc2ccc(CNC(=O)OC(C)(C)C)cc21.
What is the InChIKey of tert-butyl N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]carbamate?
The InChIKey is QXCONLILLUNAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-8-5-6-10-19(16)24-13-7-9-18-12-11-17(14-20(18)24)15-23-21(25)26-22(2,3)4/h5-6,8,10-12,14H,7,9,13,15H2,1-4H3,(H,23,25).
What are the key properties of tert-butyl N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]carbamate?
tert-butyl N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]carbamate has a molecular weight of 352.48 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(2-methylphenyl)-3,4-dihydro-2H-quinolin-7-yl]methyl]carbamate is sourced from PubChem (CID 141205583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).