methyl 1-(8-chloroquinolin-4-yl)cyclopropane-1-carboxylate

C14H12ClNO2 — CID 177269003

IUPACmethyl 1-(8-chloroquinolin-4-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccnc3c(Cl)cccc23)CC1
InChIInChI=1S/C14H12ClNO2/c1-18-13(17)14(6-7-14)10-5-8-16-12-9(10)3-2-4-11(12)15/h2-5,8H,6-7H2,1H3
InChIKeyWTXRPQPBRZXCID-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.09
Rot. Bonds2

About methyl 1-(8-chloroquinolin-4-yl)cyclopropane-1-carboxylate

methyl 1-(8-chloroquinolin-4-yl)cyclopropane-1-carboxylate (PubChem CID 177269003) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is methyl 1-(8-chloroquinolin-4-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(8-chloroquinolin-4-yl)cyclopropane-1-carboxylate
PubChem CID177269003
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Namemethyl 1-(8-chloroquinolin-4-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccnc3c(Cl)cccc23)CC1
InChIInChI=1S/C14H12ClNO2/c1-18-13(17)14(6-7-14)10-5-8-16-12-9(10)3-2-4-11(12)15/h2-5,8H,6-7H2,1H3
InChIKeyWTXRPQPBRZXCID-UHFFFAOYSA-N
XLogP3.09
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(8-chloroquinolin-4-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(8-chloroquinolin-4-yl)cyclopropane-1-carboxylate (CID 177269003) is methyl 1-(8-chloroquinolin-4-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(8-chloroquinolin-4-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(8-chloroquinolin-4-yl)cyclopropane-1-carboxylate is COC(=O)C1(c2ccnc3c(Cl)cccc23)CC1.
What is the InChIKey of methyl 1-(8-chloroquinolin-4-yl)cyclopropane-1-carboxylate?
The InChIKey is WTXRPQPBRZXCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-18-13(17)14(6-7-14)10-5-8-16-12-9(10)3-2-4-11(12)15/h2-5,8H,6-7H2,1H3.
What are the key properties of methyl 1-(8-chloroquinolin-4-yl)cyclopropane-1-carboxylate?
methyl 1-(8-chloroquinolin-4-yl)cyclopropane-1-carboxylate has a molecular weight of 261.71 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(8-chloroquinolin-4-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 177269003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).