1-[(3S,4R)-1-(2-methoxyacetyl)-4-phenylpyrrolidin-3-yl]-3-quinolin-3-ylurea

C23H24N4O3 — CID 122424675

IUPAC1-[(3S,4R)-1-(2-methoxyacetyl)-4-phenylpyrrolidin-3-yl]-3-quinolin-3-ylurea
SMILESCOCC(=O)N1C[C@@H](NC(=O)Nc2cnc3ccccc3c2)[C@H](c2ccccc2)C1
InChIInChI=1S/C23H24N4O3/c1-30-15-22(28)27-13-19(16-7-3-2-4-8-16)21(14-27)26-23(29)25-18-11-17-9-5-6-10-20(17)24-12-18/h2-12,19,21H,13-15H2,1H3,(H2,25,26,29)/t19-,21+/m0/s1
InChIKeyNJDCWRSNKYGITK-PZJWPPBQSA-N
MW404.47 g/mol
LogP3.00
Rot. Bonds5

About 1-[(3S,4R)-1-(2-methoxyacetyl)-4-phenylpyrrolidin-3-yl]-3-quinolin-3-ylurea

1-[(3S,4R)-1-(2-methoxyacetyl)-4-phenylpyrrolidin-3-yl]-3-quinolin-3-ylurea (PubChem CID 122424675) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-[(3S,4R)-1-(2-methoxyacetyl)-4-phenylpyrrolidin-3-yl]-3-quinolin-3-ylurea.

Molecular Properties

Compound Name1-[(3S,4R)-1-(2-methoxyacetyl)-4-phenylpyrrolidin-3-yl]-3-quinolin-3-ylurea
PubChem CID122424675
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name1-[(3S,4R)-1-(2-methoxyacetyl)-4-phenylpyrrolidin-3-yl]-3-quinolin-3-ylurea
SMILESCOCC(=O)N1C[C@@H](NC(=O)Nc2cnc3ccccc3c2)[C@H](c2ccccc2)C1
InChIInChI=1S/C23H24N4O3/c1-30-15-22(28)27-13-19(16-7-3-2-4-8-16)21(14-27)26-23(29)25-18-11-17-9-5-6-10-20(17)24-12-18/h2-12,19,21H,13-15H2,1H3,(H2,25,26,29)/t19-,21+/m0/s1
InChIKeyNJDCWRSNKYGITK-PZJWPPBQSA-N
XLogP3.00
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3S,4R)-1-(2-methoxyacetyl)-4-phenylpyrrolidin-3-yl]-3-quinolin-3-ylurea 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

1-[(3S,4R)-1-(2-methoxyethyl)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-3-quinolin-3-ylurea
CID 122424610
1-(2-methoxyethyl)-3-quinolin-3-ylurea
CID 175700628
methyl N-quinolin-3-ylcarbamate
CID 19697860
2-[2-oxo-2-(quinolin-3-ylamino)ethoxy]acetic acid
CID 61329390
2-[methyl(quinolin-3-ylcarbamoyl)amino]acetic acid
CID 55115598
1-quinolin-3-yl-3-(3-trimethoxysilylpropyl)urea
CID 140892825
1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea
CID 16645769
4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757
(2R)-2-(quinolin-3-ylcarbamoylamino)pentanoic acid
CID 107566857
4-methyl-N-quinolin-3-ylpiperidine-1-carboxamide
CID 115582764
1-[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]-3-(8-methoxy-2-methylquinolin-3-yl)urea
CID 122424649
2-[4-[[(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]carbamoylamino]-3-phenylisoquinolin-7-yl]oxyacetic acid
CID 122424498

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-1-(2-methoxyacetyl)-4-phenylpyrrolidin-3-yl]-3-quinolin-3-ylurea?
The IUPAC name of 1-[(3S,4R)-1-(2-methoxyacetyl)-4-phenylpyrrolidin-3-yl]-3-quinolin-3-ylurea (CID 122424675) is 1-[(3S,4R)-1-(2-methoxyacetyl)-4-phenylpyrrolidin-3-yl]-3-quinolin-3-ylurea.
What is the SMILES notation for 1-[(3S,4R)-1-(2-methoxyacetyl)-4-phenylpyrrolidin-3-yl]-3-quinolin-3-ylurea?
The canonical SMILES for 1-[(3S,4R)-1-(2-methoxyacetyl)-4-phenylpyrrolidin-3-yl]-3-quinolin-3-ylurea is COCC(=O)N1C[C@@H](NC(=O)Nc2cnc3ccccc3c2)[C@H](c2ccccc2)C1.
What is the InChIKey of 1-[(3S,4R)-1-(2-methoxyacetyl)-4-phenylpyrrolidin-3-yl]-3-quinolin-3-ylurea?
The InChIKey is NJDCWRSNKYGITK-PZJWPPBQSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-30-15-22(28)27-13-19(16-7-3-2-4-8-16)21(14-27)26-23(29)25-18-11-17-9-5-6-10-20(17)24-12-18/h2-12,19,21H,13-15H2,1H3,(H2,25,26,29)/t19-,21+/m0/s1.
What are the key properties of 1-[(3S,4R)-1-(2-methoxyacetyl)-4-phenylpyrrolidin-3-yl]-3-quinolin-3-ylurea?
1-[(3S,4R)-1-(2-methoxyacetyl)-4-phenylpyrrolidin-3-yl]-3-quinolin-3-ylurea has a molecular weight of 404.47 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-1-(2-methoxyacetyl)-4-phenylpyrrolidin-3-yl]-3-quinolin-3-ylurea is sourced from PubChem (CID 122424675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).