tert-butyl N-(2-methoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate

C15H22N2O3 — CID 46941969

IUPACtert-butyl N-(2-methoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate
SMILESCOc1ccc2c(n1)CCC(NC(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)16-11-6-7-12-10(9-11)5-8-13(17-12)19-4/h5,8,11H,6-7,9H2,1-4H3,(H,16,18)
InChIKeyYMSPYRFJMCSHMY-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.47
Rot. Bonds2

About tert-butyl N-(2-methoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate

tert-butyl N-(2-methoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate (PubChem CID 46941969) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl N-(2-methoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate
PubChem CID46941969
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl N-(2-methoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate
SMILESCOc1ccc2c(n1)CCC(NC(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)16-11-6-7-12-10(9-11)5-8-13(17-12)19-4/h5,8,11H,6-7,9H2,1-4H3,(H,16,18)
InChIKeyYMSPYRFJMCSHMY-UHFFFAOYSA-N
XLogP2.47
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate
CID 169122682
tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 22182075
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
ethyl 2-[[6-methoxy-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-3-pyridinyl]imino]acetate
CID 86643885
tert-butyl N-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]carbamate
CID 97007663
tert-butyl N-(2-amino-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)carbamate
CID 70861981
tert-butyl N-[1-(4-chloro-6-methoxypyrimidin-2-yl)piperidin-4-yl]carbamate
CID 86709788
2-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 22182086
tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate
CID 68757924
ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 19386082
tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-7-yl)carbamate
CID 86643888
methyl N-(2,6-dimethoxy-5-methyl-7,8-dihydro-6H-quinolin-5-yl)carbamate
CID 15478789

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate?
The IUPAC name of tert-butyl N-(2-methoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate (CID 46941969) is tert-butyl N-(2-methoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-methoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate is COc1ccc2c(n1)CCC(NC(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl N-(2-methoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate?
The InChIKey is YMSPYRFJMCSHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)16-11-6-7-12-10(9-11)5-8-13(17-12)19-4/h5,8,11H,6-7,9H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-(2-methoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate?
tert-butyl N-(2-methoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate is sourced from PubChem (CID 46941969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).