tert-butyl 5-(dipropylamino)-8-methyl-3,4-dihydro-2H-quinoline-1-carboxylate

C21H34N2O2 — CID 19919335

IUPACtert-butyl 5-(dipropylamino)-8-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCCN(CCC)c1ccc(C)c2c1CCCN2C(=O)OC(C)(C)C
InChIInChI=1S/C21H34N2O2/c1-7-13-22(14-8-2)18-12-11-16(3)19-17(18)10-9-15-23(19)20(24)25-21(4,5)6/h11-12H,7-10,13-15H2,1-6H3
InChIKeyLNAFCXNKEFXRTD-UHFFFAOYSA-N
MW346.52 g/mol
LogP5.31
Rot. Bonds5

About tert-butyl 5-(dipropylamino)-8-methyl-3,4-dihydro-2H-quinoline-1-carboxylate

tert-butyl 5-(dipropylamino)-8-methyl-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 19919335) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is tert-butyl 5-(dipropylamino)-8-methyl-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(dipropylamino)-8-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID19919335
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC Nametert-butyl 5-(dipropylamino)-8-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCCN(CCC)c1ccc(C)c2c1CCCN2C(=O)OC(C)(C)C
InChIInChI=1S/C21H34N2O2/c1-7-13-22(14-8-2)18-12-11-16(3)19-17(18)10-9-15-23(19)20(24)25-21(4,5)6/h11-12H,7-10,13-15H2,1-6H3
InChIKeyLNAFCXNKEFXRTD-UHFFFAOYSA-N
XLogP5.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(dipropylamino)-8-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl 5-(dipropylamino)-8-methyl-3,4-dihydro-2H-quinoline-1-carboxylate (CID 19919335) is tert-butyl 5-(dipropylamino)-8-methyl-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(dipropylamino)-8-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl 5-(dipropylamino)-8-methyl-3,4-dihydro-2H-quinoline-1-carboxylate is CCCN(CCC)c1ccc(C)c2c1CCCN2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-(dipropylamino)-8-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is LNAFCXNKEFXRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-7-13-22(14-8-2)18-12-11-16(3)19-17(18)10-9-15-23(19)20(24)25-21(4,5)6/h11-12H,7-10,13-15H2,1-6H3.
What are the key properties of tert-butyl 5-(dipropylamino)-8-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
tert-butyl 5-(dipropylamino)-8-methyl-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 346.52 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(dipropylamino)-8-methyl-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 19919335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).