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

C28H33FN4O4 — CID 26358517

IUPACN-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESCOc1ccc(OC)c2nc(N(C)C)c(CN(CCCN3CCCC3=O)C(=O)c3cccc(F)c3)cc12
InChIInChI=1S/C28H33FN4O4/c1-31(2)27-20(17-22-23(36-3)11-12-24(37-4)26(22)30-27)18-33(15-7-14-32-13-6-10-25(32)34)28(35)19-8-5-9-21(29)16-19/h5,8-9,11-12,16-17H,6-7,10,13-15,18H2,1-4H3
InChIKeyYKFTXSSPWSTPSE-UHFFFAOYSA-N
MW508.59 g/mol
LogP4.11
Rot. Bonds10

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

N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (PubChem CID 26358517) has the molecular formula C28H33FN4O4 and a molecular weight of 508.59 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
PubChem CID26358517
Molecular FormulaC28H33FN4O4
Molecular Weight508.59 g/mol
Exact Mass508.25
IUPAC NameN-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESCOc1ccc(OC)c2nc(N(C)C)c(CN(CCCN3CCCC3=O)C(=O)c3cccc(F)c3)cc12
InChIInChI=1S/C28H33FN4O4/c1-31(2)27-20(17-22-23(36-3)11-12-24(37-4)26(22)30-27)18-33(15-7-14-32-13-6-10-25(32)34)28(35)19-8-5-9-21(29)16-19/h5,8-9,11-12,16-17H,6-7,10,13-15,18H2,1-4H3
InChIKeyYKFTXSSPWSTPSE-UHFFFAOYSA-N
XLogP4.11
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.59
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 28739477
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 26343354
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26352971
3-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 42406671
N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide
CID 29153761
3-methoxy-N-[(6-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 42485035
4-acetamido-N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 118758559
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 26330353
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-(furan-2-ylmethyl)oxolane-2-carboxamide
CID 45253101
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9277349
N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide
CID 29086533
3-fluoro-N-(2-methoxyethyl)-N-[(6-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]benzamide
CID 42499083

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The IUPAC name of N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (CID 26358517) is N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.
What is the SMILES notation for N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The canonical SMILES for N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is COc1ccc(OC)c2nc(N(C)C)c(CN(CCCN3CCCC3=O)C(=O)c3cccc(F)c3)cc12.
What is the InChIKey of N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The InChIKey is YKFTXSSPWSTPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN4O4/c1-31(2)27-20(17-22-23(36-3)11-12-24(37-4)26(22)30-27)18-33(15-7-14-32-13-6-10-25(32)34)28(35)19-8-5-9-21(29)16-19/h5,8-9,11-12,16-17H,6-7,10,13-15,18H2,1-4H3.
What are the key properties of N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide has a molecular weight of 508.59 g/mol, XLogP of 4.11, 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]-3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 26358517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).