2-(pyrrolidin-3-ylmethoxy)quinoline-4-carboxamide

C15H17N3O2 — CID 63886225

IUPAC2-(pyrrolidin-3-ylmethoxy)quinoline-4-carboxamide
SMILESNC(=O)c1cc(OCC2CCNC2)nc2ccccc12
InChIInChI=1S/C15H17N3O2/c16-15(19)12-7-14(20-9-10-5-6-17-8-10)18-13-4-2-1-3-11(12)13/h1-4,7,10,17H,5-6,8-9H2,(H2,16,19)
InChIKeyHPCMHEQHQVXXOY-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.32
Rot. Bonds4

About 2-(pyrrolidin-3-ylmethoxy)quinoline-4-carboxamide

2-(pyrrolidin-3-ylmethoxy)quinoline-4-carboxamide (PubChem CID 63886225) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(pyrrolidin-3-ylmethoxy)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(pyrrolidin-3-ylmethoxy)quinoline-4-carboxamide
PubChem CID63886225
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(pyrrolidin-3-ylmethoxy)quinoline-4-carboxamide
SMILESNC(=O)c1cc(OCC2CCNC2)nc2ccccc12
InChIInChI=1S/C15H17N3O2/c16-15(19)12-7-14(20-9-10-5-6-17-8-10)18-13-4-2-1-3-11(12)13/h1-4,7,10,17H,5-6,8-9H2,(H2,16,19)
InChIKeyHPCMHEQHQVXXOY-UHFFFAOYSA-N
XLogP1.32
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-pyrrolidin-3-ylethylamino)quinoline-4-carboxamide
CID 63884282
2-(piperidin-4-ylmethylamino)quinoline-4-carboxamide
CID 63883886
2-(cyclohexylmethoxy)quinoline-4-carbothioamide
CID 63884367
2-(piperidin-3-ylmethoxy)quinoline-4-carbonitrile
CID 63886031
2-(3-aminocyclopentyl)oxyquinoline-4-carboxamide
CID 79464571
2-(pyrrolidin-3-ylmethoxy)-1,3-benzothiazole
CID 62372647
6-(piperidin-3-ylmethoxy)pyridine-2-carboxamide
CID 64589412
5-(phenoxymethyl)-3-(pyrrolidin-3-ylmethoxy)-1,2-oxazole
CID 175141401
2-(pyrrolidin-3-ylmethoxy)pyridine
CID 62371943
(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
2-(piperidin-3-ylmethoxy)pyridine-3-carboxamide
CID 55065117
2-methoxy-3-(pyrrolidin-3-ylmethoxy)quinoxaline
CID 71643111

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-3-ylmethoxy)quinoline-4-carboxamide?
The IUPAC name of 2-(pyrrolidin-3-ylmethoxy)quinoline-4-carboxamide (CID 63886225) is 2-(pyrrolidin-3-ylmethoxy)quinoline-4-carboxamide.
What is the SMILES notation for 2-(pyrrolidin-3-ylmethoxy)quinoline-4-carboxamide?
The canonical SMILES for 2-(pyrrolidin-3-ylmethoxy)quinoline-4-carboxamide is NC(=O)c1cc(OCC2CCNC2)nc2ccccc12.
What is the InChIKey of 2-(pyrrolidin-3-ylmethoxy)quinoline-4-carboxamide?
The InChIKey is HPCMHEQHQVXXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-15(19)12-7-14(20-9-10-5-6-17-8-10)18-13-4-2-1-3-11(12)13/h1-4,7,10,17H,5-6,8-9H2,(H2,16,19).
What are the key properties of 2-(pyrrolidin-3-ylmethoxy)quinoline-4-carboxamide?
2-(pyrrolidin-3-ylmethoxy)quinoline-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-3-ylmethoxy)quinoline-4-carboxamide is sourced from PubChem (CID 63886225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).