4-chloro-N-methyl-N-(2-methyloxolan-3-yl)quinoline-2-carboxamide

C16H17ClN2O2 — CID 82736181

IUPAC4-chloro-N-methyl-N-(2-methyloxolan-3-yl)quinoline-2-carboxamide
SMILESCC1OCCC1N(C)C(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C16H17ClN2O2/c1-10-15(7-8-21-10)19(2)16(20)14-9-12(17)11-5-3-4-6-13(11)18-14/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyHLYHYFIILATXJN-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.14
Rot. Bonds2

About 4-chloro-N-methyl-N-(2-methyloxolan-3-yl)quinoline-2-carboxamide

4-chloro-N-methyl-N-(2-methyloxolan-3-yl)quinoline-2-carboxamide (PubChem CID 82736181) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(2-methyloxolan-3-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(2-methyloxolan-3-yl)quinoline-2-carboxamide
PubChem CID82736181
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name4-chloro-N-methyl-N-(2-methyloxolan-3-yl)quinoline-2-carboxamide
SMILESCC1OCCC1N(C)C(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C16H17ClN2O2/c1-10-15(7-8-21-10)19(2)16(20)14-9-12(17)11-5-3-4-6-13(11)18-14/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyHLYHYFIILATXJN-UHFFFAOYSA-N
XLogP3.14
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(2-methyloxolan-3-yl)quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-methyl-N-(2-methyloxolan-3-yl)quinoline-2-carboxamide (CID 82736181) is 4-chloro-N-methyl-N-(2-methyloxolan-3-yl)quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-methyl-N-(2-methyloxolan-3-yl)quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-methyl-N-(2-methyloxolan-3-yl)quinoline-2-carboxamide is CC1OCCC1N(C)C(=O)c1cc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloro-N-methyl-N-(2-methyloxolan-3-yl)quinoline-2-carboxamide?
The InChIKey is HLYHYFIILATXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10-15(7-8-21-10)19(2)16(20)14-9-12(17)11-5-3-4-6-13(11)18-14/h3-6,9-10,15H,7-8H2,1-2H3.
What are the key properties of 4-chloro-N-methyl-N-(2-methyloxolan-3-yl)quinoline-2-carboxamide?
4-chloro-N-methyl-N-(2-methyloxolan-3-yl)quinoline-2-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(2-methyloxolan-3-yl)quinoline-2-carboxamide is sourced from PubChem (CID 82736181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).