tert-butyl N-(6-chloro-8-ethenyl-7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)carbamate

C17H22ClFN2O2 — CID 177160003

IUPACtert-butyl N-(6-chloro-8-ethenyl-7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)carbamate
SMILESC=Cc1c(F)c(Cl)cc2c1N(C)CC(NC(=O)OC(C)(C)C)C2
InChIInChI=1S/C17H22ClFN2O2/c1-6-12-14(19)13(18)8-10-7-11(9-21(5)15(10)12)20-16(22)23-17(2,3)4/h6,8,11H,1,7,9H2,2-5H3,(H,20,22)
InChIKeyVYQRNLWBGRTJTJ-UHFFFAOYSA-N
MW340.83 g/mol
LogP4.01
Rot. Bonds2

About tert-butyl N-(6-chloro-8-ethenyl-7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)carbamate

tert-butyl N-(6-chloro-8-ethenyl-7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)carbamate (PubChem CID 177160003) has the molecular formula C17H22ClFN2O2 and a molecular weight of 340.83 g/mol. Its IUPAC name is tert-butyl N-(6-chloro-8-ethenyl-7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-chloro-8-ethenyl-7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)carbamate
PubChem CID177160003
Molecular FormulaC17H22ClFN2O2
Molecular Weight340.83 g/mol
Exact Mass340.14
IUPAC Nametert-butyl N-(6-chloro-8-ethenyl-7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)carbamate
SMILESC=Cc1c(F)c(Cl)cc2c1N(C)CC(NC(=O)OC(C)(C)C)C2
InChIInChI=1S/C17H22ClFN2O2/c1-6-12-14(19)13(18)8-10-7-11(9-21(5)15(10)12)20-16(22)23-17(2,3)4/h6,8,11H,1,7,9H2,2-5H3,(H,20,22)
InChIKeyVYQRNLWBGRTJTJ-UHFFFAOYSA-N
XLogP4.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(6-chloro-8-ethenyl-7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)carbamate with MolForge

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Related Compounds

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tert-butyl N-(5-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)carbamate
CID 162385011
tert-butyl N-(5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)carbamate
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tert-butyl N-(4-fluoro-5-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate
CID 147682184
tert-butyl N-[3-(2,4,6-trichloroanilino)cyclobutyl]carbamate
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tert-butyl N-[4-(3-chloro-2-fluoroanilino)cyclohexyl]carbamate
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tert-butyl N-[1-(3-bromo-5-chloro-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 139392588
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2-hydroxybutyl)piperidin-3-yl]carbamate
CID 112544838
[6-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-4-yl] trifluoromethanesulfonate
CID 162383913
tert-butyl N-[1-[2-(4-ethenylphenyl)acetyl]azetidin-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-chloro-8-ethenyl-7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(6-chloro-8-ethenyl-7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)carbamate (CID 177160003) is tert-butyl N-(6-chloro-8-ethenyl-7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-chloro-8-ethenyl-7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-chloro-8-ethenyl-7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)carbamate is C=Cc1c(F)c(Cl)cc2c1N(C)CC(NC(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl N-(6-chloro-8-ethenyl-7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)carbamate?
The InChIKey is VYQRNLWBGRTJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O2/c1-6-12-14(19)13(18)8-10-7-11(9-21(5)15(10)12)20-16(22)23-17(2,3)4/h6,8,11H,1,7,9H2,2-5H3,(H,20,22).
What are the key properties of tert-butyl N-(6-chloro-8-ethenyl-7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)carbamate?
tert-butyl N-(6-chloro-8-ethenyl-7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)carbamate has a molecular weight of 340.83 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-chloro-8-ethenyl-7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)carbamate is sourced from PubChem (CID 177160003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).