7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide

C17H22N2O2 — CID 78829924

IUPAC7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide
SMILESCCC(CC)NC(=O)c1cc2ccc(OC)cc2nc1C
InChIInChI=1S/C17H22N2O2/c1-5-13(6-2)19-17(20)15-9-12-7-8-14(21-4)10-16(12)18-11(15)3/h7-10,13H,5-6H2,1-4H3,(H,19,20)
InChIKeyWYOFTMIBCFPIAW-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.47
Rot. Bonds5

About 7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide

7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide (PubChem CID 78829924) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide
PubChem CID78829924
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide
SMILESCCC(CC)NC(=O)c1cc2ccc(OC)cc2nc1C
InChIInChI=1S/C17H22N2O2/c1-5-13(6-2)19-17(20)15-9-12-7-8-14(21-4)10-16(12)18-11(15)3/h7-10,13H,5-6H2,1-4H3,(H,19,20)
InChIKeyWYOFTMIBCFPIAW-UHFFFAOYSA-N
XLogP3.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide?
The IUPAC name of 7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide (CID 78829924) is 7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide is CCC(CC)NC(=O)c1cc2ccc(OC)cc2nc1C.
What is the InChIKey of 7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide?
The InChIKey is WYOFTMIBCFPIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-5-13(6-2)19-17(20)15-9-12-7-8-14(21-4)10-16(12)18-11(15)3/h7-10,13H,5-6H2,1-4H3,(H,19,20).
What are the key properties of 7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide?
7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide is sourced from PubChem (CID 78829924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).