2-(cyclopropylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylic acid

C25H25N3O5 — CID 141060869

IUPAC2-(cyclopropylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylic acid
SMILESCOc1ccc2c(OC3CC(C(=O)NC4CC4)N(C(=O)O)C3)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C25H25N3O5/c1-32-17-9-10-19-21(11-17)27-20(15-5-3-2-4-6-15)13-23(19)33-18-12-22(28(14-18)25(30)31)24(29)26-16-7-8-16/h2-6,9-11,13,16,18,22H,7-8,12,14H2,1H3,(H,26,29)(H,30,31)
InChIKeyAQKLMWCHVKWTGZ-UHFFFAOYSA-N
MW447.49 g/mol
LogP3.69
Rot. Bonds6

About 2-(cyclopropylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylic acid

2-(cyclopropylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylic acid (PubChem CID 141060869) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is 2-(cyclopropylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylic acid
PubChem CID141060869
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name2-(cyclopropylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylic acid
SMILESCOc1ccc2c(OC3CC(C(=O)NC4CC4)N(C(=O)O)C3)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C25H25N3O5/c1-32-17-9-10-19-21(11-17)27-20(15-5-3-2-4-6-15)13-23(19)33-18-12-22(28(14-18)25(30)31)24(29)26-16-7-8-16/h2-6,9-11,13,16,18,22H,7-8,12,14H2,1H3,(H,26,29)(H,30,31)
InChIKeyAQKLMWCHVKWTGZ-UHFFFAOYSA-N
XLogP3.69
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(cyclopropylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylic acid 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

(2S)-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-methylsulfonylpyrrolidine-2-carboxylic acid
CID 143643438
(2S)-1-(benzylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid
CID 143643502
tert-butyl (2S,4R)-2-(2-hydroxyacetyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylate
CID 58194889
1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]ethanone
CID 141203944
(1R)-2-ethyl-1-[[(2S,4R)-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 59907519
4-(1-iodo-5-methylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline
CID 143036531
(2S,4R)-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid
CID 59127595
(1R)-2-ethenyl-1-[[(2S,4R)-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 59412431
CID 59907515
CID 59907515
(2S,4R)-1-[(2S)-3,3-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)butanoyl]-N-ethyl-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxamide
CID 68803795
(1R,2S,4R)-2-acetamido-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid
CID 59441103
1-[[(2S,4R)-1-(2-cyclohexyl-2-piperidin-1-ylacetyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid
CID 68771449

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(cyclopropylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylic acid (CID 141060869) is 2-(cyclopropylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(cyclopropylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(cyclopropylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylic acid is COc1ccc2c(OC3CC(C(=O)NC4CC4)N(C(=O)O)C3)cc(-c3ccccc3)nc2c1.
What is the InChIKey of 2-(cyclopropylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylic acid?
The InChIKey is AQKLMWCHVKWTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-32-17-9-10-19-21(11-17)27-20(15-5-3-2-4-6-15)13-23(19)33-18-12-22(28(14-18)25(30)31)24(29)26-16-7-8-16/h2-6,9-11,13,16,18,22H,7-8,12,14H2,1H3,(H,26,29)(H,30,31).
What are the key properties of 2-(cyclopropylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylic acid?
2-(cyclopropylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylic acid has a molecular weight of 447.49 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 141060869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).