[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate

C20H19ClN2O3S — CID 55398558

IUPAC[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
SMILESCC(C)N(C)C(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C20H19ClN2O3S/c1-12(2)23(3)19(24)11-26-20(25)14-10-16(17-8-9-18(21)27-17)22-15-7-5-4-6-13(14)15/h4-10,12H,11H2,1-3H3
InChIKeyPJZIVLKHJKNPRI-UHFFFAOYSA-N
MW402.90 g/mol
LogP4.64
Rot. Bonds5

About [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate

[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate (PubChem CID 55398558) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
PubChem CID55398558
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
SMILESCC(C)N(C)C(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C20H19ClN2O3S/c1-12(2)23(3)19(24)11-26-20(25)14-10-16(17-8-9-18(21)27-17)22-15-7-5-4-6-13(14)15/h4-10,12H,11H2,1-3H3
InChIKeyPJZIVLKHJKNPRI-UHFFFAOYSA-N
XLogP4.64
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 55400967
[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
CID 41153278
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
CID 2438228
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
CID 2570075
2-(5-chlorothiophen-2-yl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 7535473
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylquinoline-4-carboxylate
CID 2083757
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
CID 2373942
(3-cyanophenyl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
CID 7856372
2-(5-chlorothiophen-2-yl)-N-phenylmethoxyquinoline-4-carboxamide
CID 18229256
[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
CID 3993864
[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
CID 2425108
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
CID 2400006

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate?
The IUPAC name of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate (CID 55398558) is [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate is CC(C)N(C)C(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12.
What is the InChIKey of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate?
The InChIKey is PJZIVLKHJKNPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c1-12(2)23(3)19(24)11-26-20(25)14-10-16(17-8-9-18(21)27-17)22-15-7-5-4-6-13(14)15/h4-10,12H,11H2,1-3H3.
What are the key properties of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate?
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate has a molecular weight of 402.90 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 55398558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).