methyl 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylate

C16H14ClNO2 — CID 67961180

IUPACmethyl 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(Cl)c(C3=CCCC3)c2c1
InChIInChI=1S/C16H14ClNO2/c1-20-16(19)11-6-7-14-12(8-11)15(13(17)9-18-14)10-4-2-3-5-10/h4,6-9H,2-3,5H2,1H3
InChIKeyBGYJOFVCFPETPD-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.24
Rot. Bonds2

About methyl 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylate

methyl 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylate (PubChem CID 67961180) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is methyl 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylate
PubChem CID67961180
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Namemethyl 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(Cl)c(C3=CCCC3)c2c1
InChIInChI=1S/C16H14ClNO2/c1-20-16(19)11-6-7-14-12(8-11)15(13(17)9-18-14)10-4-2-3-5-10/h4,6-9H,2-3,5H2,1H3
InChIKeyBGYJOFVCFPETPD-UHFFFAOYSA-N
XLogP4.24
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-chloro-4-(cyclohexen-1-yl)quinoline-6-carboxylate
CID 67961149
methyl 3-chloro-4-methylquinoline-6-carboxylate
CID 67961110
methyl 3,4-dichloroquinoline-6-carboxylate
CID 67773511
methyl 4-(cyclohexen-1-yl)quinoline-6-carboxylate
CID 67961081
methyl 3-chloro-4-pyrrolidin-1-ylquinoline-6-carboxylate
CID 67775458
methyl 1-amino-4-chloroisoquinoline-6-carboxylate
CID 118660585
methyl 2-chloroquinoxaline-6-carboxylate
CID 131395472
methyl 4-(cyclohexen-1-yl)-3-fluorobenzoate
CID 166570461
methyl 4-(2-chloro-5-fluorophenyl)quinoline-6-carboxylate
CID 67961079
methyl 4-(2,4-difluorophenyl)-3-methylquinoline-6-carboxylate
CID 67961008
methyl 4-(2-chloro-6-fluorophenyl)quinoline-6-carboxylate
CID 67960959
methyl 8-chloronaphthalene-2-carboxylate
CID 90487849

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylate?
The IUPAC name of methyl 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylate (CID 67961180) is methyl 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylate.
What is the SMILES notation for methyl 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylate?
The canonical SMILES for methyl 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylate is COC(=O)c1ccc2ncc(Cl)c(C3=CCCC3)c2c1.
What is the InChIKey of methyl 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylate?
The InChIKey is BGYJOFVCFPETPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-20-16(19)11-6-7-14-12(8-11)15(13(17)9-18-14)10-4-2-3-5-10/h4,6-9H,2-3,5H2,1H3.
What are the key properties of methyl 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylate?
methyl 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylate has a molecular weight of 287.75 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylate is sourced from PubChem (CID 67961180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).