methyl 2-(diethylamino)-4-oxo-5H-[1,3]thiazolo[5,4-c]quinoline-6-carboxylate

C16H17N3O3S — CID 58189584

IUPACmethyl 2-(diethylamino)-4-oxo-5H-[1,3]thiazolo[5,4-c]quinoline-6-carboxylate
SMILESCCN(CC)c1nc2c(s1)c(=O)[nH]c1c(C(=O)OC)cccc12
InChIInChI=1S/C16H17N3O3S/c1-4-19(5-2)16-18-12-9-7-6-8-10(15(21)22-3)11(9)17-14(20)13(12)23-16/h6-8H,4-5H2,1-3H3,(H,17,20)
InChIKeyAPMUKAPDFIVUMR-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.77
Rot. Bonds4

About methyl 2-(diethylamino)-4-oxo-5H-[1,3]thiazolo[5,4-c]quinoline-6-carboxylate

methyl 2-(diethylamino)-4-oxo-5H-[1,3]thiazolo[5,4-c]quinoline-6-carboxylate (PubChem CID 58189584) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is methyl 2-(diethylamino)-4-oxo-5H-[1,3]thiazolo[5,4-c]quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(diethylamino)-4-oxo-5H-[1,3]thiazolo[5,4-c]quinoline-6-carboxylate
PubChem CID58189584
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Namemethyl 2-(diethylamino)-4-oxo-5H-[1,3]thiazolo[5,4-c]quinoline-6-carboxylate
SMILESCCN(CC)c1nc2c(s1)c(=O)[nH]c1c(C(=O)OC)cccc12
InChIInChI=1S/C16H17N3O3S/c1-4-19(5-2)16-18-12-9-7-6-8-10(15(21)22-3)11(9)17-14(20)13(12)23-16/h6-8H,4-5H2,1-3H3,(H,17,20)
InChIKeyAPMUKAPDFIVUMR-UHFFFAOYSA-N
XLogP2.77
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(diethylamino)-4-oxo-5H-[1,3]thiazolo[5,4-c]quinoline-6-carboxylate with MolForge

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Related Compounds

methyl 8-ethyl-6-oxo-5H-phenanthridine-4-carboxylate
CID 178050328
methyl 2-[2-(diethylamino)ethyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43961719
methyl 3-iodo-2-methyl-4-oxo-1H-quinoline-8-carboxylate
CID 102537528
methyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate
CID 10244019
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
3-O-ethyl 8-O-methyl 4-(diethylamino)quinoline-3,8-dicarboxylate
CID 53269421
methyl 6-oxo-1,2,3,4,5,7-hexahydroazepino[3,2-c]quinoline-8-carboxylate
CID 58199972
methyl 3,3,5-trioxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carboxylate
CID 58199966
methyl 2-(5-ethylthiophen-2-yl)-1H-benzimidazole-4-carboxylate
CID 115357561
9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate
CID 175444407
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
ethane;methyl 8-methyl-9-oxo-10H-acridine-4-carboxylate
CID 143617162

Frequently Asked Questions

What is the IUPAC name of methyl 2-(diethylamino)-4-oxo-5H-[1,3]thiazolo[5,4-c]quinoline-6-carboxylate?
The IUPAC name of methyl 2-(diethylamino)-4-oxo-5H-[1,3]thiazolo[5,4-c]quinoline-6-carboxylate (CID 58189584) is methyl 2-(diethylamino)-4-oxo-5H-[1,3]thiazolo[5,4-c]quinoline-6-carboxylate.
What is the SMILES notation for methyl 2-(diethylamino)-4-oxo-5H-[1,3]thiazolo[5,4-c]quinoline-6-carboxylate?
The canonical SMILES for methyl 2-(diethylamino)-4-oxo-5H-[1,3]thiazolo[5,4-c]quinoline-6-carboxylate is CCN(CC)c1nc2c(s1)c(=O)[nH]c1c(C(=O)OC)cccc12.
What is the InChIKey of methyl 2-(diethylamino)-4-oxo-5H-[1,3]thiazolo[5,4-c]quinoline-6-carboxylate?
The InChIKey is APMUKAPDFIVUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-4-19(5-2)16-18-12-9-7-6-8-10(15(21)22-3)11(9)17-14(20)13(12)23-16/h6-8H,4-5H2,1-3H3,(H,17,20).
What are the key properties of methyl 2-(diethylamino)-4-oxo-5H-[1,3]thiazolo[5,4-c]quinoline-6-carboxylate?
methyl 2-(diethylamino)-4-oxo-5H-[1,3]thiazolo[5,4-c]quinoline-6-carboxylate has a molecular weight of 331.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(diethylamino)-4-oxo-5H-[1,3]thiazolo[5,4-c]quinoline-6-carboxylate is sourced from PubChem (CID 58189584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).