butyl 5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylate

C15H18N2O2S — CID 155320998

IUPACbutyl 5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylate
SMILESCCCCOC(=O)c1nc2cc3c(nc2s1)CCCC3
InChIInChI=1S/C15H18N2O2S/c1-2-3-8-19-15(18)14-17-12-9-10-6-4-5-7-11(10)16-13(12)20-14/h9H,2-8H2,1H3
InChIKeyBSYXZEDANLOYTF-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.53
Rot. Bonds4

About butyl 5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylate

butyl 5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylate (PubChem CID 155320998) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is butyl 5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylate.

Molecular Properties

Compound Namebutyl 5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylate
PubChem CID155320998
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Namebutyl 5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylate
SMILESCCCCOC(=O)c1nc2cc3c(nc2s1)CCCC3
InChIInChI=1S/C15H18N2O2S/c1-2-3-8-19-15(18)14-17-12-9-10-6-4-5-7-11(10)16-13(12)20-14/h9H,2-8H2,1H3
InChIKeyBSYXZEDANLOYTF-UHFFFAOYSA-N
XLogP3.53
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl 5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 4521595
butyl 4-hydroxy-1,3-thiazole-2-carboxylate
CID 172999884
ethyl 2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylate
CID 116533140
butyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 78915216
(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-ethoxyphenyl)methanone
CID 23971387
butyl quinoline-3-carboxylate
CID 54753708
(7S)-7-(1-methylcyclopropyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylic acid
CID 155320964
butyl 2,6-dimethylpyridine-4-carboxylate
CID 66665942
(2-heptoxy-5,6,7,8-tetrahydroquinolin-3-yl)methanamine
CID 63457909
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1230786
butyl 1,2,3,4-tetrahydroquinoline-6-carboxylate
CID 43267445
acetylene;N-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;2-methylpropane;5-methyl-2-propylhexan-1-ol
CID 155726008

Frequently Asked Questions

What is the IUPAC name of butyl 5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylate?
The IUPAC name of butyl 5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylate (CID 155320998) is butyl 5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylate.
What is the SMILES notation for butyl 5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylate?
The canonical SMILES for butyl 5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylate is CCCCOC(=O)c1nc2cc3c(nc2s1)CCCC3.
What is the InChIKey of butyl 5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylate?
The InChIKey is BSYXZEDANLOYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-2-3-8-19-15(18)14-17-12-9-10-6-4-5-7-11(10)16-13(12)20-14/h9H,2-8H2,1H3.
What are the key properties of butyl 5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylate?
butyl 5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylate has a molecular weight of 290.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]quinoline-2-carboxylate is sourced from PubChem (CID 155320998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).