2-[1-[(7-methoxy-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide

C24H23N3O3 — CID 110251538

IUPAC2-[1-[(7-methoxy-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCOc1cccc2cc(CN3CCC(c4cc(C(N)=O)c5ccccc5n4)C3)oc12
InChIInChI=1S/C24H23N3O3/c1-29-22-8-4-5-15-11-17(30-23(15)22)14-27-10-9-16(13-27)21-12-19(24(25)28)18-6-2-3-7-20(18)26-21/h2-8,11-12,16H,9-10,13-14H2,1H3,(H2,25,28)
InChIKeyMULNIOXRFBLRJO-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.08
Rot. Bonds5

About 2-[1-[(7-methoxy-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide

2-[1-[(7-methoxy-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide (PubChem CID 110251538) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[1-[(7-methoxy-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[1-[(7-methoxy-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide
PubChem CID110251538
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name2-[1-[(7-methoxy-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCOc1cccc2cc(CN3CCC(c4cc(C(N)=O)c5ccccc5n4)C3)oc12
InChIInChI=1S/C24H23N3O3/c1-29-22-8-4-5-15-11-17(30-23(15)22)14-27-10-9-16(13-27)21-12-19(24(25)28)18-6-2-3-7-20(18)26-21/h2-8,11-12,16H,9-10,13-14H2,1H3,(H2,25,28)
InChIKeyMULNIOXRFBLRJO-UHFFFAOYSA-N
XLogP4.08
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(7-methoxy-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide?
The IUPAC name of 2-[1-[(7-methoxy-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide (CID 110251538) is 2-[1-[(7-methoxy-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-[1-[(7-methoxy-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-[1-[(7-methoxy-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide is COc1cccc2cc(CN3CCC(c4cc(C(N)=O)c5ccccc5n4)C3)oc12.
What is the InChIKey of 2-[1-[(7-methoxy-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide?
The InChIKey is MULNIOXRFBLRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-29-22-8-4-5-15-11-17(30-23(15)22)14-27-10-9-16(13-27)21-12-19(24(25)28)18-6-2-3-7-20(18)26-21/h2-8,11-12,16H,9-10,13-14H2,1H3,(H2,25,28).
What are the key properties of 2-[1-[(7-methoxy-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide?
2-[1-[(7-methoxy-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(7-methoxy-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 110251538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).