tert-butyl N-(3-methyl-1,2-dihydroquinolin-6-yl)carbamate

C15H20N2O2 — CID 123772771

IUPACtert-butyl N-(3-methyl-1,2-dihydroquinolin-6-yl)carbamate
SMILESCC1=Cc2cc(NC(=O)OC(C)(C)C)ccc2NC1
InChIInChI=1S/C15H20N2O2/c1-10-7-11-8-12(5-6-13(11)16-9-10)17-14(18)19-15(2,3)4/h5-8,16H,9H2,1-4H3,(H,17,18)
InChIKeyNAXMRDHXWOLBOS-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.86
Rot. Bonds1

About tert-butyl N-(3-methyl-1,2-dihydroquinolin-6-yl)carbamate

tert-butyl N-(3-methyl-1,2-dihydroquinolin-6-yl)carbamate (PubChem CID 123772771) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is tert-butyl N-(3-methyl-1,2-dihydroquinolin-6-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-methyl-1,2-dihydroquinolin-6-yl)carbamate
PubChem CID123772771
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nametert-butyl N-(3-methyl-1,2-dihydroquinolin-6-yl)carbamate
SMILESCC1=Cc2cc(NC(=O)OC(C)(C)C)ccc2NC1
InChIInChI=1S/C15H20N2O2/c1-10-7-11-8-12(5-6-13(11)16-9-10)17-14(18)19-15(2,3)4/h5-8,16H,9H2,1-4H3,(H,17,18)
InChIKeyNAXMRDHXWOLBOS-UHFFFAOYSA-N
XLogP3.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-(3-methyl-2H-indazol-6-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-methyl-1,2-dihydroquinolin-6-yl)carbamate?
The IUPAC name of tert-butyl N-(3-methyl-1,2-dihydroquinolin-6-yl)carbamate (CID 123772771) is tert-butyl N-(3-methyl-1,2-dihydroquinolin-6-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-methyl-1,2-dihydroquinolin-6-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-methyl-1,2-dihydroquinolin-6-yl)carbamate is CC1=Cc2cc(NC(=O)OC(C)(C)C)ccc2NC1.
What is the InChIKey of tert-butyl N-(3-methyl-1,2-dihydroquinolin-6-yl)carbamate?
The InChIKey is NAXMRDHXWOLBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-7-11-8-12(5-6-13(11)16-9-10)17-14(18)19-15(2,3)4/h5-8,16H,9H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-(3-methyl-1,2-dihydroquinolin-6-yl)carbamate?
tert-butyl N-(3-methyl-1,2-dihydroquinolin-6-yl)carbamate has a molecular weight of 260.34 g/mol, XLogP of 3.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-methyl-1,2-dihydroquinolin-6-yl)carbamate is sourced from PubChem (CID 123772771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).