[2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate

C20H17N3O3 — CID 23990884

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2ccncc2)nc2ccccc12)NC1CC1
InChIInChI=1S/C20H17N3O3/c24-19(22-14-5-6-14)12-26-20(25)16-11-18(13-7-9-21-10-8-13)23-17-4-2-1-3-15(16)17/h1-4,7-11,14H,5-6,12H2,(H,22,24)
InChIKeyJYZZVFVSZXBIHA-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.73
Rot. Bonds5

About [2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate

[2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate (PubChem CID 23990884) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
PubChem CID23990884
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2ccncc2)nc2ccccc12)NC1CC1
InChIInChI=1S/C20H17N3O3/c24-19(22-14-5-6-14)12-26-20(25)16-11-18(13-7-9-21-10-8-13)23-17-4-2-1-3-15(16)17/h1-4,7-11,14H,5-6,12H2,(H,22,24)
InChIKeyJYZZVFVSZXBIHA-UHFFFAOYSA-N
XLogP2.73
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780535
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 7807522
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23856693
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 2463363
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 2646694
(8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl 2-pyridin-4-ylquinoline-4-carboxylate
CID 167924136
(4-cyclopropyl-1,3-thiazol-2-yl)methyl 2-pyridin-4-ylquinoline-4-carboxylate
CID 146086718
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 9330416
N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
CID 119388190
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 55318819
[2-(4-bromophenyl)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23882892
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate
CID 98797330

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate (CID 23990884) is [2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate is O=C(COC(=O)c1cc(-c2ccncc2)nc2ccccc12)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate?
The InChIKey is JYZZVFVSZXBIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-19(22-14-5-6-14)12-26-20(25)16-11-18(13-7-9-21-10-8-13)23-17-4-2-1-3-15(16)17/h1-4,7-11,14H,5-6,12H2,(H,22,24).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate?
[2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate is sourced from PubChem (CID 23990884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).