methyl 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate

C18H20N2O4S — CID 134052980

IUPACmethyl 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate
SMILESCOC(=O)c1cccc2c1CCCN2C(=O)CCn1c(C)csc1=O
InChIInChI=1S/C18H20N2O4S/c1-12-11-25-18(23)19(12)10-8-16(21)20-9-4-6-13-14(17(22)24-2)5-3-7-15(13)20/h3,5,7,11H,4,6,8-10H2,1-2H3
InChIKeyNMJPGXPTBMCQHO-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.37
Rot. Bonds4

About methyl 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate

methyl 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate (PubChem CID 134052980) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is methyl 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate
PubChem CID134052980
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Namemethyl 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate
SMILESCOC(=O)c1cccc2c1CCCN2C(=O)CCn1c(C)csc1=O
InChIInChI=1S/C18H20N2O4S/c1-12-11-25-18(23)19(12)10-8-16(21)20-9-4-6-13-14(17(22)24-2)5-3-7-15(13)20/h3,5,7,11H,4,6,8-10H2,1-2H3
InChIKeyNMJPGXPTBMCQHO-UHFFFAOYSA-N
XLogP2.37
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate with MolForge

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Related Compounds

methyl 1-[2-(4-iodophenoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylate
CID 134033526
methyl 4-methyl-5-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate
CID 75400918
methyl 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
CID 75466524
N-(2,6-dimethylphenyl)-2-[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 31785049
methyl 1-(2-phenyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
CID 94615225
1-(3-methoxy-3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 103018301
4-methyl-3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one
CID 116691894
3-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxopropyl]-4-methyl-1,3-thiazol-2-one
CID 55590079
1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 78979818
4-methyl-3-[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-4-oxobutyl]-1,3-thiazol-2-one
CID 42924780
methyl 2-[[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]amino]benzoate
CID 109034949
1-[2-(propan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61161658

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate?
The IUPAC name of methyl 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate (CID 134052980) is methyl 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate.
What is the SMILES notation for methyl 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate?
The canonical SMILES for methyl 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate is COC(=O)c1cccc2c1CCCN2C(=O)CCn1c(C)csc1=O.
What is the InChIKey of methyl 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate?
The InChIKey is NMJPGXPTBMCQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-12-11-25-18(23)19(12)10-8-16(21)20-9-4-6-13-14(17(22)24-2)5-3-7-15(13)20/h3,5,7,11H,4,6,8-10H2,1-2H3.
What are the key properties of methyl 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate?
methyl 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate has a molecular weight of 360.44 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate is sourced from PubChem (CID 134052980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).