N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-2-fluorobenzamide

C26H33FN4O4 — CID 26323182

IUPACN-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-2-fluorobenzamide
SMILESCOc1cc2nc(N(C)C)c(CN(CCN(C)C)C(=O)c3ccccc3F)cc2c(OC)c1OC
InChIInChI=1S/C26H33FN4O4/c1-29(2)12-13-31(26(32)18-10-8-9-11-20(18)27)16-17-14-19-21(28-25(17)30(3)4)15-22(33-5)24(35-7)23(19)34-6/h8-11,14-15H,12-13,16H2,1-7H3
InChIKeyBMRDVRKVKWBFJM-UHFFFAOYSA-N
MW484.57 g/mol
LogP3.67
Rot. Bonds10

About N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-2-fluorobenzamide

N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-2-fluorobenzamide (PubChem CID 26323182) has the molecular formula C26H33FN4O4 and a molecular weight of 484.57 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-2-fluorobenzamide
PubChem CID26323182
Molecular FormulaC26H33FN4O4
Molecular Weight484.57 g/mol
Exact Mass484.25
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-2-fluorobenzamide
SMILESCOc1cc2nc(N(C)C)c(CN(CCN(C)C)C(=O)c3ccccc3F)cc2c(OC)c1OC
InChIInChI=1S/C26H33FN4O4/c1-29(2)12-13-31(26(32)18-10-8-9-11-20(18)27)16-17-14-19-21(28-25(17)30(3)4)15-22(33-5)24(35-7)23(19)34-6/h8-11,14-15H,12-13,16H2,1-7H3
InChIKeyBMRDVRKVKWBFJM-UHFFFAOYSA-N
XLogP3.67
TPSA67.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide
CID 615754
[4-(6,7-Dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone
CID 137333966
3,4,5-trimethoxy-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide
CID 6621232
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methylbenzamide
CID 10072518
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-3-[(dimethylamino)methyl]-N-methylbenzamide
CID 10097792
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methyl-4-[[methyl-[6-(methylamino)hexyl]amino]methyl]benzamide
CID 10651334
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-2-[(6-aminohexylamino)methyl]-N-methylbenzamide
CID 10745791
[4-(4-Amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl](phenyl)methanone
CID 14069001
[(4aR,8aS)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-phenylmethanone
CID 44428851
2,3,4-trimethoxy-N-2-quinolinylbenzamide
CID 2994144
4-Amino-6,7-dimethoxy-2-[4-(2-benzoylacetyl)-1-piperazinyl]-quinazoline
CID 9867616
1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperazin-1-yl]-4-phenyl-butane-1,4-dione
CID 10575494

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-2-fluorobenzamide (CID 26323182) is N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-2-fluorobenzamide is COc1cc2nc(N(C)C)c(CN(CCN(C)C)C(=O)c3ccccc3F)cc2c(OC)c1OC.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-2-fluorobenzamide?
The InChIKey is BMRDVRKVKWBFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O4/c1-29(2)12-13-31(26(32)18-10-8-9-11-20(18)27)16-17-14-19-21(28-25(17)30(3)4)15-22(33-5)24(35-7)23(19)34-6/h8-11,14-15H,12-13,16H2,1-7H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-2-fluorobenzamide?
N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-2-fluorobenzamide has a molecular weight of 484.57 g/mol, XLogP of 3.67, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 26323182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).