(2-oxo-1H-quinolin-3-yl)methyl 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxylate

C20H15ClFNO3 — CID 167812857

IUPAC(2-oxo-1H-quinolin-3-yl)methyl 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxylate
SMILESO=C(OCc1cc2ccccc2[nH]c1=O)C1(c2cccc(Cl)c2F)CC1
InChIInChI=1S/C20H15ClFNO3/c21-15-6-3-5-14(17(15)22)20(8-9-20)19(25)26-11-13-10-12-4-1-2-7-16(12)23-18(13)24/h1-7,10H,8-9,11H2,(H,23,24)
InChIKeyRLYYCUHRPGSIGW-UHFFFAOYSA-N
MW371.80 g/mol
LogP4.10
Rot. Bonds4

About (2-oxo-1H-quinolin-3-yl)methyl 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxylate

(2-oxo-1H-quinolin-3-yl)methyl 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxylate (PubChem CID 167812857) has the molecular formula C20H15ClFNO3 and a molecular weight of 371.80 g/mol. Its IUPAC name is (2-oxo-1H-quinolin-3-yl)methyl 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name(2-oxo-1H-quinolin-3-yl)methyl 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxylate
PubChem CID167812857
Molecular FormulaC20H15ClFNO3
Molecular Weight371.80 g/mol
Exact Mass371.07
IUPAC Name(2-oxo-1H-quinolin-3-yl)methyl 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxylate
SMILESO=C(OCc1cc2ccccc2[nH]c1=O)C1(c2cccc(Cl)c2F)CC1
InChIInChI=1S/C20H15ClFNO3/c21-15-6-3-5-14(17(15)22)20(8-9-20)19(25)26-11-13-10-12-4-1-2-7-16(12)23-18(13)24/h1-7,10H,8-9,11H2,(H,23,24)
InChIKeyRLYYCUHRPGSIGW-UHFFFAOYSA-N
XLogP4.10
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxylate (CID 167812857) is (2-oxo-1H-quinolin-3-yl)methyl 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for (2-oxo-1H-quinolin-3-yl)methyl 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for (2-oxo-1H-quinolin-3-yl)methyl 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxylate is O=C(OCc1cc2ccccc2[nH]c1=O)C1(c2cccc(Cl)c2F)CC1.
What is the InChIKey of (2-oxo-1H-quinolin-3-yl)methyl 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxylate?
The InChIKey is RLYYCUHRPGSIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFNO3/c21-15-6-3-5-14(17(15)22)20(8-9-20)19(25)26-11-13-10-12-4-1-2-7-16(12)23-18(13)24/h1-7,10H,8-9,11H2,(H,23,24).
What are the key properties of (2-oxo-1H-quinolin-3-yl)methyl 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxylate?
(2-oxo-1H-quinolin-3-yl)methyl 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxylate has a molecular weight of 371.80 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-quinolin-3-yl)methyl 1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 167812857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).