6-methoxy-N-(4-pyrrolidin-3-ylphenyl)quinoline-2-carboxamide

C21H21N3O2 — CID 53251257

IUPAC6-methoxy-N-(4-pyrrolidin-3-ylphenyl)quinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)Nc3ccc(C4CCNC4)cc3)ccc2c1
InChIInChI=1S/C21H21N3O2/c1-26-18-7-9-19-15(12-18)4-8-20(24-19)21(25)23-17-5-2-14(3-6-17)16-10-11-22-13-16/h2-9,12,16,22H,10-11,13H2,1H3,(H,23,25)
InChIKeyHCCQLOQQCSGPSC-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.57
Rot. Bonds4

About 6-methoxy-N-(4-pyrrolidin-3-ylphenyl)quinoline-2-carboxamide

6-methoxy-N-(4-pyrrolidin-3-ylphenyl)quinoline-2-carboxamide (PubChem CID 53251257) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-methoxy-N-(4-pyrrolidin-3-ylphenyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(4-pyrrolidin-3-ylphenyl)quinoline-2-carboxamide
PubChem CID53251257
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name6-methoxy-N-(4-pyrrolidin-3-ylphenyl)quinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)Nc3ccc(C4CCNC4)cc3)ccc2c1
InChIInChI=1S/C21H21N3O2/c1-26-18-7-9-19-15(12-18)4-8-20(24-19)21(25)23-17-5-2-14(3-6-17)16-10-11-22-13-16/h2-9,12,16,22H,10-11,13H2,1H3,(H,23,25)
InChIKeyHCCQLOQQCSGPSC-UHFFFAOYSA-N
XLogP3.57
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(4-pyrrolidin-3-ylphenyl)quinoline-2-carboxamide?
The IUPAC name of 6-methoxy-N-(4-pyrrolidin-3-ylphenyl)quinoline-2-carboxamide (CID 53251257) is 6-methoxy-N-(4-pyrrolidin-3-ylphenyl)quinoline-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-(4-pyrrolidin-3-ylphenyl)quinoline-2-carboxamide?
The canonical SMILES for 6-methoxy-N-(4-pyrrolidin-3-ylphenyl)quinoline-2-carboxamide is COc1ccc2nc(C(=O)Nc3ccc(C4CCNC4)cc3)ccc2c1.
What is the InChIKey of 6-methoxy-N-(4-pyrrolidin-3-ylphenyl)quinoline-2-carboxamide?
The InChIKey is HCCQLOQQCSGPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-18-7-9-19-15(12-18)4-8-20(24-19)21(25)23-17-5-2-14(3-6-17)16-10-11-22-13-16/h2-9,12,16,22H,10-11,13H2,1H3,(H,23,25).
What are the key properties of 6-methoxy-N-(4-pyrrolidin-3-ylphenyl)quinoline-2-carboxamide?
6-methoxy-N-(4-pyrrolidin-3-ylphenyl)quinoline-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(4-pyrrolidin-3-ylphenyl)quinoline-2-carboxamide is sourced from PubChem (CID 53251257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).