N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide

C24H29FN4O — CID 29153761

IUPACN-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide
SMILESCc1cccc2cc(CN(CCN(C)C)C(=O)c3cccc(F)c3)c(N(C)C)nc12
InChIInChI=1S/C24H29FN4O/c1-17-8-6-9-18-14-20(23(28(4)5)26-22(17)18)16-29(13-12-27(2)3)24(30)19-10-7-11-21(25)15-19/h6-11,14-15H,12-13,16H2,1-5H3
InChIKeyDHLPJAGNUMYVFU-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.95
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide

N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide (PubChem CID 29153761) has the molecular formula C24H29FN4O and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide
PubChem CID29153761
Molecular FormulaC24H29FN4O
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide
SMILESCc1cccc2cc(CN(CCN(C)C)C(=O)c3cccc(F)c3)c(N(C)C)nc12
InChIInChI=1S/C24H29FN4O/c1-17-8-6-9-18-14-20(23(28(4)5)26-22(17)18)16-29(13-12-27(2)3)24(30)19-10-7-11-21(25)15-19/h6-11,14-15H,12-13,16H2,1-5H3
InChIKeyDHLPJAGNUMYVFU-UHFFFAOYSA-N
XLogP3.95
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide
CID 29086533
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]prop-2-enamide
CID 28634596
(E)-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 45237611
N-[4-(dimethylamino)-3-[[2-(dimethylamino)ethyl-(4-fluorobenzoyl)amino]methyl]phenyl]-3-fluorobenzamide
CID 42817286
N-[2-(dimethylamino)ethyl]-3-hydroxy-N-(naphthalen-1-ylmethyl)benzamide
CID 20628546
N-[2-(dimethylamino)ethyl]-3-fluoro-N-[[2-(4-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]benzamide
CID 26339886
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 26358517
N-[2-(dimethylamino)ethyl]-3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 42771590
3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide
CID 154815656
N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-2,3,4-trimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45204109
N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide
CID 42328264
N-benzyl-3-fluoro-N-propylbenzamide
CID 134028425

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide (CID 29153761) is N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide is Cc1cccc2cc(CN(CCN(C)C)C(=O)c3cccc(F)c3)c(N(C)C)nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide?
The InChIKey is DHLPJAGNUMYVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O/c1-17-8-6-9-18-14-20(23(28(4)5)26-22(17)18)16-29(13-12-27(2)3)24(30)19-10-7-11-21(25)15-19/h6-11,14-15H,12-13,16H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide?
N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide has a molecular weight of 408.52 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 29153761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).