methyl 4-chloro-8-propylquinoline-2-carboxylate

C14H14ClNO2 — CID 55183253

IUPACmethyl 4-chloro-8-propylquinoline-2-carboxylate
SMILESCCCc1cccc2c(Cl)cc(C(=O)OC)nc12
InChIInChI=1S/C14H14ClNO2/c1-3-5-9-6-4-7-10-11(15)8-12(14(17)18-2)16-13(9)10/h4,6-8H,3,5H2,1-2H3
InChIKeyPPRLBGKPTCLAFW-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.63
Rot. Bonds3

About methyl 4-chloro-8-propylquinoline-2-carboxylate

methyl 4-chloro-8-propylquinoline-2-carboxylate (PubChem CID 55183253) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is methyl 4-chloro-8-propylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-8-propylquinoline-2-carboxylate
PubChem CID55183253
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Namemethyl 4-chloro-8-propylquinoline-2-carboxylate
SMILESCCCc1cccc2c(Cl)cc(C(=O)OC)nc12
InChIInChI=1S/C14H14ClNO2/c1-3-5-9-6-4-7-10-11(15)8-12(14(17)18-2)16-13(9)10/h4,6-8H,3,5H2,1-2H3
InChIKeyPPRLBGKPTCLAFW-UHFFFAOYSA-N
XLogP3.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-8-ethoxyquinoline-2-carboxylate
CID 63376560
methyl 8-bromo-4-chloroquinoline-2-carboxylate
CID 46739191
dimethyl 8-chloroquinoline-2,4-dicarboxylate
CID 118171241
methyl 8-chloro-4-methoxyquinoline-2-carboxylate
CID 53419812
methyl 4,8-dichloro-7-fluoroquinoline-2-carboxylate
CID 171157588
dimethyl 4-propylpyridine-2,6-dicarboxylate
CID 138532950
methyl 4-pentylquinoline-2-carboxylate
CID 174963802
methyl 4-methoxy-8-propoxyquinoline-2-carboxylate
CID 102941864
methyl 4,6,7-trichloroquinoline-2-carboxylate
CID 34173870
methyl 4-chloro-8-fluoro-6-phenylmethoxyquinoline-2-carboxylate
CID 138584470
methyl 4,5,8-trichloro-6-methylquinoline-2-carboxylate
CID 113445998
methyl 6-butan-2-yl-4-chloroquinoline-2-carboxylate
CID 63376606

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-8-propylquinoline-2-carboxylate?
The IUPAC name of methyl 4-chloro-8-propylquinoline-2-carboxylate (CID 55183253) is methyl 4-chloro-8-propylquinoline-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-8-propylquinoline-2-carboxylate?
The canonical SMILES for methyl 4-chloro-8-propylquinoline-2-carboxylate is CCCc1cccc2c(Cl)cc(C(=O)OC)nc12.
What is the InChIKey of methyl 4-chloro-8-propylquinoline-2-carboxylate?
The InChIKey is PPRLBGKPTCLAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-3-5-9-6-4-7-10-11(15)8-12(14(17)18-2)16-13(9)10/h4,6-8H,3,5H2,1-2H3.
What are the key properties of methyl 4-chloro-8-propylquinoline-2-carboxylate?
methyl 4-chloro-8-propylquinoline-2-carboxylate has a molecular weight of 263.72 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-8-propylquinoline-2-carboxylate is sourced from PubChem (CID 55183253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).