methyl 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylate

C19H16ClNO2 — CID 139242418

IUPACmethyl 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylate
SMILESCCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)OC
InChIInChI=1S/C19H16ClNO2/c1-3-15-18(19(22)23-2)17(12-7-5-4-6-8-12)14-11-13(20)9-10-16(14)21-15/h4-11H,3H2,1-2H3
InChIKeyAVOTVYSKPQTCEC-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.90
Rot. Bonds3

About methyl 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylate

methyl 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylate (PubChem CID 139242418) has the molecular formula C19H16ClNO2 and a molecular weight of 325.80 g/mol. Its IUPAC name is methyl 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylate
PubChem CID139242418
Molecular FormulaC19H16ClNO2
Molecular Weight325.80 g/mol
Exact Mass325.09
IUPAC Namemethyl 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylate
SMILESCCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)OC
InChIInChI=1S/C19H16ClNO2/c1-3-15-18(19(22)23-2)17(12-7-5-4-6-8-12)14-11-13(20)9-10-16(14)21-15/h4-11H,3H2,1-2H3
InChIKeyAVOTVYSKPQTCEC-UHFFFAOYSA-N
XLogP4.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylate?
The IUPAC name of methyl 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylate (CID 139242418) is methyl 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylate?
The canonical SMILES for methyl 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylate is CCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)OC.
What is the InChIKey of methyl 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylate?
The InChIKey is AVOTVYSKPQTCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2/c1-3-15-18(19(22)23-2)17(12-7-5-4-6-8-12)14-11-13(20)9-10-16(14)21-15/h4-11H,3H2,1-2H3.
What are the key properties of methyl 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylate?
methyl 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylate has a molecular weight of 325.80 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-2-ethyl-4-phenylquinoline-3-carboxylate is sourced from PubChem (CID 139242418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).