N-methyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide

C25H27N3O3 — CID 71241920

IUPACN-methyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc1
InChIInChI=1S/C25H27N3O3/c1-16(21-13-25(30)27-14-21)31-24-12-20(11-23-22(24)5-4-10-26-23)19-8-6-18(7-9-19)15-28(3)17(2)29/h4-12,16,21H,13-15H2,1-3H3,(H,27,30)/t16-,21-/m1/s1
InChIKeyCHFCIYAPEFNWQQ-IIBYNOLFSA-N
MW417.51 g/mol
LogP3.78
Rot. Bonds6

About N-methyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide

N-methyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide (PubChem CID 71241920) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-methyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide
PubChem CID71241920
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-methyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc1
InChIInChI=1S/C25H27N3O3/c1-16(21-13-25(30)27-14-21)31-24-12-20(11-23-22(24)5-4-10-26-23)19-8-6-18(7-9-19)15-28(3)17(2)29/h4-12,16,21H,13-15H2,1-3H3,(H,27,30)/t16-,21-/m1/s1
InChIKeyCHFCIYAPEFNWQQ-IIBYNOLFSA-N
XLogP3.78
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide 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 N-methyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide (CID 71241920) is N-methyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide is CC(=O)N(C)Cc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc1.
What is the InChIKey of N-methyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide?
The InChIKey is CHFCIYAPEFNWQQ-IIBYNOLFSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-16(21-13-25(30)27-14-21)31-24-12-20(11-23-22(24)5-4-10-26-23)19-8-6-18(7-9-19)15-28(3)17(2)29/h4-12,16,21H,13-15H2,1-3H3,(H,27,30)/t16-,21-/m1/s1.
What are the key properties of N-methyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide?
N-methyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide has a molecular weight of 417.51 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 71241920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).