7-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide

C18H21N3O2 — CID 165399906

IUPAC7-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide
SMILESCc1ccc2c(C(=O)NCC(=O)N3CCCC3C)ccnc2c1
InChIInChI=1S/C18H21N3O2/c1-12-5-6-14-15(7-8-19-16(14)10-12)18(23)20-11-17(22)21-9-3-4-13(21)2/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,20,23)
InChIKeyFBMWYTRSYAUKAV-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.28
Rot. Bonds3

About 7-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide

7-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide (PubChem CID 165399906) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 7-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide
PubChem CID165399906
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name7-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide
SMILESCc1ccc2c(C(=O)NCC(=O)N3CCCC3C)ccnc2c1
InChIInChI=1S/C18H21N3O2/c1-12-5-6-14-15(7-8-19-16(14)10-12)18(23)20-11-17(22)21-9-3-4-13(21)2/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,20,23)
InChIKeyFBMWYTRSYAUKAV-UHFFFAOYSA-N
XLogP2.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide?
The IUPAC name of 7-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide (CID 165399906) is 7-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide.
What is the SMILES notation for 7-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide?
The canonical SMILES for 7-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide is Cc1ccc2c(C(=O)NCC(=O)N3CCCC3C)ccnc2c1.
What is the InChIKey of 7-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide?
The InChIKey is FBMWYTRSYAUKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-5-6-14-15(7-8-19-16(14)10-12)18(23)20-11-17(22)21-9-3-4-13(21)2/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,20,23).
What are the key properties of 7-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide?
7-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide is sourced from PubChem (CID 165399906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).