2-[1-(1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)quinoline-4-carboxamide

C26H25N3O4 — CID 110251414

IUPAC2-[1-(1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)quinoline-4-carboxamide
SMILESCOCCNC(=O)c1cc(C2CCN(C(=O)c3cc4ccccc4o3)C2)nc2ccccc12
InChIInChI=1S/C26H25N3O4/c1-32-13-11-27-25(30)20-15-22(28-21-8-4-3-7-19(20)21)18-10-12-29(16-18)26(31)24-14-17-6-2-5-9-23(17)33-24/h2-9,14-15,18H,10-13,16H2,1H3,(H,27,30)
InChIKeyVJOFERLCQDVTFK-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.99
Rot. Bonds6

About 2-[1-(1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)quinoline-4-carboxamide

2-[1-(1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)quinoline-4-carboxamide (PubChem CID 110251414) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)quinoline-4-carboxamide
PubChem CID110251414
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name2-[1-(1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)quinoline-4-carboxamide
SMILESCOCCNC(=O)c1cc(C2CCN(C(=O)c3cc4ccccc4o3)C2)nc2ccccc12
InChIInChI=1S/C26H25N3O4/c1-32-13-11-27-25(30)20-15-22(28-21-8-4-3-7-19(20)21)18-10-12-29(16-18)26(31)24-14-17-6-2-5-9-23(17)33-24/h2-9,14-15,18H,10-13,16H2,1H3,(H,27,30)
InChIKeyVJOFERLCQDVTFK-UHFFFAOYSA-N
XLogP3.99
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1-(1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92638776
N-(2-methoxyethyl)-2-[(3S)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92639155
N-(2-methoxyethyl)-2-[(3R)-1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92637916
N-(2-hydroxyethyl)-2-[(3R)-1-(2-methoxy-3-methylbenzoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92638858
N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636667
2-[(3S)-1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92637717
N-(2-methoxyethyl)-2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636716
N-(2-methoxyethyl)-2-[(2R)-4-(pyridine-2-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636717
N-(2-methoxyethyl)-2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92636714
N-(2-hydroxyethyl)-2-[1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251529
1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263992
2-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide
CID 92636941

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)quinoline-4-carboxamide?
The IUPAC name of 2-[1-(1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)quinoline-4-carboxamide (CID 110251414) is 2-[1-(1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-[1-(1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-[1-(1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)quinoline-4-carboxamide is COCCNC(=O)c1cc(C2CCN(C(=O)c3cc4ccccc4o3)C2)nc2ccccc12.
What is the InChIKey of 2-[1-(1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)quinoline-4-carboxamide?
The InChIKey is VJOFERLCQDVTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-32-13-11-27-25(30)20-15-22(28-21-8-4-3-7-19(20)21)18-10-12-29(16-18)26(31)24-14-17-6-2-5-9-23(17)33-24/h2-9,14-15,18H,10-13,16H2,1H3,(H,27,30).
What are the key properties of 2-[1-(1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)quinoline-4-carboxamide?
2-[1-(1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)quinoline-4-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)quinoline-4-carboxamide is sourced from PubChem (CID 110251414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).