tert-butyl 6-(propan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate

C17H26N2O2 — CID 103747948

IUPACtert-butyl 6-(propan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O2/c1-12(2)18-14-8-9-15-13(11-14)7-6-10-19(15)16(20)21-17(3,4)5/h8-9,11-12,18H,6-7,10H2,1-5H3
InChIKeySYVIOGRNMULPTN-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.19
Rot. Bonds2

About tert-butyl 6-(propan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate

tert-butyl 6-(propan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 103747948) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl 6-(propan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(propan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID103747948
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl 6-(propan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O2/c1-12(2)18-14-8-9-15-13(11-14)7-6-10-19(15)16(20)21-17(3,4)5/h8-9,11-12,18H,6-7,10H2,1-5H3
InChIKeySYVIOGRNMULPTN-UHFFFAOYSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-(3-methoxybutan-2-ylamino)-2,3-dihydroindole-1-carboxylate
CID 103932189
tert-butyl 5-(1-ethylsulfonylpropan-2-ylamino)-2,3-dihydroindole-1-carboxylate
CID 113354040
tert-butyl 5-[(4-methoxy-4-methylpentan-2-yl)amino]-2,3-dihydroindole-1-carboxylate
CID 113354038
tert-butyl 6-(azetidin-3-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 107242293
tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 14175818
tert-butyl 7-(1,1-difluoropropan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 107248618
tert-butyl 5-(hex-5-en-2-ylamino)-2,3-dihydroindole-1-carboxylate
CID 104583957
tert-butyl 6-(2-aminopropyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 117469487
tert-butyl 6-(1-hydroxypropan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 117470874
tert-butyl 6-(2-aminopropan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 117469429
tert-butyl 6-(4-oxobutan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 117488524
tert-butyl 6-(oxolan-3-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 103819032

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(propan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl 6-(propan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate (CID 103747948) is tert-butyl 6-(propan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl 6-(propan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl 6-(propan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate is CC(C)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-(propan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is SYVIOGRNMULPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)18-14-8-9-15-13(11-14)7-6-10-19(15)16(20)21-17(3,4)5/h8-9,11-12,18H,6-7,10H2,1-5H3.
What are the key properties of tert-butyl 6-(propan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate?
tert-butyl 6-(propan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 290.41 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(propan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 103747948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).