[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate

C22H14Cl2N4O3 — CID 23826857

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2ccccn2)nc2ccccc12)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C22H14Cl2N4O3/c23-13-9-16(24)21(26-11-13)28-20(29)12-31-22(30)15-10-19(18-7-3-4-8-25-18)27-17-6-2-1-5-14(15)17/h1-11H,12H2,(H,26,28,29)
InChIKeyLTUDUDVVGZHDSB-UHFFFAOYSA-N
MW453.29 g/mol
LogP4.79
Rot. Bonds5

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate (PubChem CID 23826857) has the molecular formula C22H14Cl2N4O3 and a molecular weight of 453.29 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate
PubChem CID23826857
Molecular FormulaC22H14Cl2N4O3
Molecular Weight453.29 g/mol
Exact Mass452.04
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2ccccn2)nc2ccccc12)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C22H14Cl2N4O3/c23-13-9-16(24)21(26-11-13)28-20(29)12-31-22(30)15-10-19(18-7-3-4-8-25-18)27-17-6-2-1-5-14(15)17/h1-11H,12H2,(H,26,28,29)
InChIKeyLTUDUDVVGZHDSB-UHFFFAOYSA-N
XLogP4.79
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.29
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
CID 2373942
2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate
CID 54142330
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-pyridin-2-ylquinoline-4-carboxylate
CID 23736786
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylmethoxybenzoate
CID 4184238
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 2351252
[2-(4-bromophenyl)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate
CID 23736695
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2373981
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate
CID 23913495
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2380205
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23991922
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3,5-dichlorobenzoate
CID 2381180
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 4531982

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate (CID 23826857) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate is O=C(COC(=O)c1cc(-c2ccccn2)nc2ccccc12)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate?
The InChIKey is LTUDUDVVGZHDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N4O3/c23-13-9-16(24)21(26-11-13)28-20(29)12-31-22(30)15-10-19(18-7-3-4-8-25-18)27-17-6-2-1-5-14(15)17/h1-11H,12H2,(H,26,28,29).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate has a molecular weight of 453.29 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate is sourced from PubChem (CID 23826857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).