ethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate

C20H18ClNO2 — CID 45142175

IUPACethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2ccccc2c1Cc1cccc(Cl)c1
InChIInChI=1S/C20H18ClNO2/c1-3-24-20(23)19-13(2)22-18-10-5-4-9-16(18)17(19)12-14-7-6-8-15(21)11-14/h4-11H,3,12H2,1-2H3
InChIKeyMKCHFQRVRDJIFX-UHFFFAOYSA-N
MW339.82 g/mol
LogP4.96
Rot. Bonds4

About ethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate

ethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate (PubChem CID 45142175) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is ethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate
PubChem CID45142175
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC Nameethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2ccccc2c1Cc1cccc(Cl)c1
InChIInChI=1S/C20H18ClNO2/c1-3-24-20(23)19-13(2)22-18-10-5-4-9-16(18)17(19)12-14-7-6-8-15(21)11-14/h4-11H,3,12H2,1-2H3
InChIKeyMKCHFQRVRDJIFX-UHFFFAOYSA-N
XLogP4.96
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methyl-4-pentylquinoline-3-carboxylate
CID 45141729
ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
CID 629761
ethyl 2-benzyl-6-(3-chlorophenyl)-4-methylpyridine-3-carboxylate
CID 175029958
ethyl 4-[(3-chlorophenyl)methyl]-5-(2,2-dicyanoethenyl)-2-methyl-1H-pyrrole-3-carboxylate
CID 2535181
diethyl 4-chloroquinoline-2,3-dicarboxylate
CID 169101735
ethyl 2-amino-4-chloroquinoline-3-carboxylate
CID 141107450
3-O-ethyl 4-O-prop-2-enyl 2-methylquinoline-3,4-dicarboxylate
CID 177389903
ethyl 5-[(3-chlorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxylate
CID 165177655
ethyl 3-benzyl-2,4-dichloroquinoline-6-carboxylate
CID 90101722
methyl 4-amino-2-[(3-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate
CID 116647586
ethyl 2-chloro-4-phenylquinoline-3-carboxylate
CID 15669479
ethyl 2-[(3-chlorophenyl)methyl]-5-(trifluoromethylsulfonyloxy)-1H-benzo[g]indole-3-carboxylate
CID 87651587

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate (CID 45142175) is ethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate is CCOC(=O)c1c(C)nc2ccccc2c1Cc1cccc(Cl)c1.
What is the InChIKey of ethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate?
The InChIKey is MKCHFQRVRDJIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2/c1-3-24-20(23)19-13(2)22-18-10-5-4-9-16(18)17(19)12-14-7-6-8-15(21)11-14/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate?
ethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate has a molecular weight of 339.82 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate is sourced from PubChem (CID 45142175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).