1-[2-(furan-2-yl)quinoline-4-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide

C26H23N3O4 — CID 55969264

IUPAC1-[2-(furan-2-yl)quinoline-4-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2C(=O)c2cc(-c3ccco3)nc3ccccc23)cc1
InChIInChI=1S/C26H23N3O4/c1-32-18-12-10-17(11-13-18)27-25(30)23-8-4-14-29(23)26(31)20-16-22(24-9-5-15-33-24)28-21-7-3-2-6-19(20)21/h2-3,5-7,9-13,15-16,23H,4,8,14H2,1H3,(H,27,30)
InChIKeyZYOPWVIKSVNSGS-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.75
Rot. Bonds5

About 1-[2-(furan-2-yl)quinoline-4-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide

1-[2-(furan-2-yl)quinoline-4-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 55969264) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)quinoline-4-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(furan-2-yl)quinoline-4-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID55969264
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Name1-[2-(furan-2-yl)quinoline-4-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2C(=O)c2cc(-c3ccco3)nc3ccccc23)cc1
InChIInChI=1S/C26H23N3O4/c1-32-18-12-10-17(11-13-18)27-25(30)23-8-4-14-29(23)26(31)20-16-22(24-9-5-15-33-24)28-21-7-3-2-6-19(20)21/h2-3,5-7,9-13,15-16,23H,4,8,14H2,1H3,(H,27,30)
InChIKeyZYOPWVIKSVNSGS-UHFFFAOYSA-N
XLogP4.75
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide
CID 3663828
[2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone
CID 119436975
1-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 42923415
1-(furan-2-carbonyl)-N-[4-(4-methylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 24658906
methyl 2-[1-[2-(furan-2-yl)quinoline-4-carbonyl]-3-oxopiperazin-2-yl]acetate
CID 4878165
1-(4-methoxyphenyl)-4-[2-(phenylcarbamoyl)pyrrolidine-1-carbonyl]pyrazole-3-carboxylic acid
CID 70094223
(4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride
CID 119375996
1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55670365
2-(furan-2-yl)-N-[4-(propan-2-ylcarbamoyl)phenyl]quinoline-4-carboxamide
CID 55864663
(2S)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828175
(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828173

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)quinoline-4-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(furan-2-yl)quinoline-4-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide (CID 55969264) is 1-[2-(furan-2-yl)quinoline-4-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(furan-2-yl)quinoline-4-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(furan-2-yl)quinoline-4-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide is COc1ccc(NC(=O)C2CCCN2C(=O)c2cc(-c3ccco3)nc3ccccc23)cc1.
What is the InChIKey of 1-[2-(furan-2-yl)quinoline-4-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is ZYOPWVIKSVNSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-32-18-12-10-17(11-13-18)27-25(30)23-8-4-14-29(23)26(31)20-16-22(24-9-5-15-33-24)28-21-7-3-2-6-19(20)21/h2-3,5-7,9-13,15-16,23H,4,8,14H2,1H3,(H,27,30).
What are the key properties of 1-[2-(furan-2-yl)quinoline-4-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
1-[2-(furan-2-yl)quinoline-4-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)quinoline-4-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55969264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).