[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2,6-dimethylquinoline-4-carboxylate

C19H16ClN3O3 — CID 2098541

IUPAC[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2,6-dimethylquinoline-4-carboxylate
SMILESCc1ccc2nc(C)cc(C(=O)OCC(=O)Nc3cccnc3Cl)c2c1
InChIInChI=1S/C19H16ClN3O3/c1-11-5-6-15-13(8-11)14(9-12(2)22-15)19(25)26-10-17(24)23-16-4-3-7-21-18(16)20/h3-9H,10H2,1-2H3,(H,23,24)
InChIKeyHJNHVPXDNILVJM-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.70
Rot. Bonds4

About [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2,6-dimethylquinoline-4-carboxylate

[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2,6-dimethylquinoline-4-carboxylate (PubChem CID 2098541) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2,6-dimethylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2,6-dimethylquinoline-4-carboxylate
PubChem CID2098541
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2,6-dimethylquinoline-4-carboxylate
SMILESCc1ccc2nc(C)cc(C(=O)OCC(=O)Nc3cccnc3Cl)c2c1
InChIInChI=1S/C19H16ClN3O3/c1-11-5-6-15-13(8-11)14(9-12(2)22-15)19(25)26-10-17(24)23-16-4-3-7-21-18(16)20/h3-9H,10H2,1-2H3,(H,23,24)
InChIKeyHJNHVPXDNILVJM-UHFFFAOYSA-N
XLogP3.70
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2,6-dimethylquinoline-4-carboxylate?
The IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2,6-dimethylquinoline-4-carboxylate (CID 2098541) is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2,6-dimethylquinoline-4-carboxylate.
What is the SMILES notation for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2,6-dimethylquinoline-4-carboxylate?
The canonical SMILES for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2,6-dimethylquinoline-4-carboxylate is Cc1ccc2nc(C)cc(C(=O)OCC(=O)Nc3cccnc3Cl)c2c1.
What is the InChIKey of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2,6-dimethylquinoline-4-carboxylate?
The InChIKey is HJNHVPXDNILVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-11-5-6-15-13(8-11)14(9-12(2)22-15)19(25)26-10-17(24)23-16-4-3-7-21-18(16)20/h3-9H,10H2,1-2H3,(H,23,24).
What are the key properties of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2,6-dimethylquinoline-4-carboxylate?
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2,6-dimethylquinoline-4-carboxylate has a molecular weight of 369.81 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2,6-dimethylquinoline-4-carboxylate is sourced from PubChem (CID 2098541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).