methyl (2R)-1-[4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]phenyl]pyrrolidine-2-carboxylate

C24H27N3O3 — CID 95855609

IUPACmethyl (2R)-1-[4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]phenyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1c1ccc(NCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1
InChIInChI=1S/C24H27N3O3/c1-15-6-7-16(2)22-20(15)13-17(23(28)26-22)14-25-18-8-10-19(11-9-18)27-12-4-5-21(27)24(29)30-3/h6-11,13,21,25H,4-5,12,14H2,1-3H3,(H,26,28)/t21-/m1/s1
InChIKeyJYVUJXLWRXOYFS-OAQYLSRUSA-N
MW405.50 g/mol
LogP3.90
Rot. Bonds5

About methyl (2R)-1-[4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]phenyl]pyrrolidine-2-carboxylate

methyl (2R)-1-[4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]phenyl]pyrrolidine-2-carboxylate (PubChem CID 95855609) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is methyl (2R)-1-[4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]phenyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]phenyl]pyrrolidine-2-carboxylate
PubChem CID95855609
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Namemethyl (2R)-1-[4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]phenyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1c1ccc(NCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1
InChIInChI=1S/C24H27N3O3/c1-15-6-7-16(2)22-20(15)13-17(23(28)26-22)14-25-18-8-10-19(11-9-18)27-12-4-5-21(27)24(29)30-3/h6-11,13,21,25H,4-5,12,14H2,1-3H3,(H,26,28)/t21-/m1/s1
InChIKeyJYVUJXLWRXOYFS-OAQYLSRUSA-N
XLogP3.90
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-1-[4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]phenyl]pyrrolidine-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]phenyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]phenyl]pyrrolidine-2-carboxylate (CID 95855609) is methyl (2R)-1-[4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]phenyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]phenyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]phenyl]pyrrolidine-2-carboxylate is COC(=O)[C@H]1CCCN1c1ccc(NCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1.
What is the InChIKey of methyl (2R)-1-[4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]phenyl]pyrrolidine-2-carboxylate?
The InChIKey is JYVUJXLWRXOYFS-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-15-6-7-16(2)22-20(15)13-17(23(28)26-22)14-25-18-8-10-19(11-9-18)27-12-4-5-21(27)24(29)30-3/h6-11,13,21,25H,4-5,12,14H2,1-3H3,(H,26,28)/t21-/m1/s1.
What are the key properties of methyl (2R)-1-[4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]phenyl]pyrrolidine-2-carboxylate?
methyl (2R)-1-[4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]phenyl]pyrrolidine-2-carboxylate has a molecular weight of 405.50 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[4-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]phenyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 95855609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).