4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methylquinoline-3-carboxamide

C18H23N3O2 — CID 173154806

IUPAC4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methylquinoline-3-carboxamide
SMILESCCOCC1CCCN1c1c(C(N)=O)c(C)nc2ccccc12
InChIInChI=1S/C18H23N3O2/c1-3-23-11-13-7-6-10-21(13)17-14-8-4-5-9-15(14)20-12(2)16(17)18(19)22/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H2,19,22)
InChIKeyALPGOYAXWFQHQG-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.65
Rot. Bonds5

About 4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methylquinoline-3-carboxamide

4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methylquinoline-3-carboxamide (PubChem CID 173154806) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methylquinoline-3-carboxamide
PubChem CID173154806
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methylquinoline-3-carboxamide
SMILESCCOCC1CCCN1c1c(C(N)=O)c(C)nc2ccccc12
InChIInChI=1S/C18H23N3O2/c1-3-23-11-13-7-6-10-21(13)17-14-8-4-5-9-15(14)20-12(2)16(17)18(19)22/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H2,19,22)
InChIKeyALPGOYAXWFQHQG-UHFFFAOYSA-N
XLogP2.65
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methylquinoline-3-carboxamide?
The IUPAC name of 4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methylquinoline-3-carboxamide (CID 173154806) is 4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methylquinoline-3-carboxamide.
What is the SMILES notation for 4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methylquinoline-3-carboxamide?
The canonical SMILES for 4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methylquinoline-3-carboxamide is CCOCC1CCCN1c1c(C(N)=O)c(C)nc2ccccc12.
What is the InChIKey of 4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methylquinoline-3-carboxamide?
The InChIKey is ALPGOYAXWFQHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-23-11-13-7-6-10-21(13)17-14-8-4-5-9-15(14)20-12(2)16(17)18(19)22/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H2,19,22).
What are the key properties of 4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methylquinoline-3-carboxamide?
4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methylquinoline-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethoxymethyl)pyrrolidin-1-yl]-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 173154806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).