[1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate

C20H17ClN2O3 — CID 6914942

IUPAC[1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OC(C)C(=O)Nc2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C20H17ClN2O3/c1-12-11-17(16-5-3-4-6-18(16)22-12)20(25)26-13(2)19(24)23-15-9-7-14(21)8-10-15/h3-11,13H,1-2H3,(H,23,24)
InChIKeyWAZOOPATRZSCOR-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.38
Rot. Bonds4

About [1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate

[1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate (PubChem CID 6914942) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is [1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate
PubChem CID6914942
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name[1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OC(C)C(=O)Nc2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C20H17ClN2O3/c1-12-11-17(16-5-3-4-6-18(16)22-12)20(25)26-13(2)19(24)23-15-9-7-14(21)8-10-15/h3-11,13H,1-2H3,(H,23,24)
InChIKeyWAZOOPATRZSCOR-UHFFFAOYSA-N
XLogP4.38
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate (CID 6914942) is [1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate is Cc1cc(C(=O)OC(C)C(=O)Nc2ccc(Cl)cc2)c2ccccc2n1.
What is the InChIKey of [1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate?
The InChIKey is WAZOOPATRZSCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-12-11-17(16-5-3-4-6-18(16)22-12)20(25)26-13(2)19(24)23-15-9-7-14(21)8-10-15/h3-11,13H,1-2H3,(H,23,24).
What are the key properties of [1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate?
[1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate has a molecular weight of 368.82 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 6914942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).