N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

C24H34N4O4 — CID 28739477

IUPACN-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESCCC(=O)N(CCCN1CCCC1=O)Cc1cc2c(OC)ccc(OC)c2nc1N(C)C
InChIInChI=1S/C24H34N4O4/c1-6-21(29)28(14-8-13-27-12-7-9-22(27)30)16-17-15-18-19(31-4)10-11-20(32-5)23(18)25-24(17)26(2)3/h10-11,15H,6-9,12-14,16H2,1-5H3
InChIKeyNWZQJHWOZNJRKW-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.07
Rot. Bonds10

About N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (PubChem CID 28739477) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
PubChem CID28739477
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC NameN-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESCCC(=O)N(CCCN1CCCC1=O)Cc1cc2c(OC)ccc(OC)c2nc1N(C)C
InChIInChI=1S/C24H34N4O4/c1-6-21(29)28(14-8-13-27-12-7-9-22(27)30)16-17-15-18-19(31-4)10-11-20(32-5)23(18)25-24(17)26(2)3/h10-11,15H,6-9,12-14,16H2,1-5H3
InChIKeyNWZQJHWOZNJRKW-UHFFFAOYSA-N
XLogP3.07
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The IUPAC name of N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (CID 28739477) is N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.
What is the SMILES notation for N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The canonical SMILES for N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is CCC(=O)N(CCCN1CCCC1=O)Cc1cc2c(OC)ccc(OC)c2nc1N(C)C.
What is the InChIKey of N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The InChIKey is NWZQJHWOZNJRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-6-21(29)28(14-8-13-27-12-7-9-22(27)30)16-17-15-18-19(31-4)10-11-20(32-5)23(18)25-24(17)26(2)3/h10-11,15H,6-9,12-14,16H2,1-5H3.
What are the key properties of N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide has a molecular weight of 442.56 g/mol, XLogP of 3.07, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is sourced from PubChem (CID 28739477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).