N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]propanamide

C26H32FN3O4 — CID 26404861

IUPACN-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCCC(=O)N(CCc1ccc(F)cc1)Cc1cc2c(OC)c(OC)c(OC)cc2nc1N(C)C
InChIInChI=1S/C26H32FN3O4/c1-7-23(31)30(13-12-17-8-10-19(27)11-9-17)16-18-14-20-21(28-26(18)29(2)3)15-22(32-4)25(34-6)24(20)33-5/h8-11,14-15H,7,12-13,16H2,1-6H3
InChIKeyBZXZCZNHPWCZMW-UHFFFAOYSA-N
MW469.56 g/mol
LogP4.45
Rot. Bonds10

About N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]propanamide

N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 26404861) has the molecular formula C26H32FN3O4 and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID26404861
Molecular FormulaC26H32FN3O4
Molecular Weight469.56 g/mol
Exact Mass469.24
IUPAC NameN-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCCC(=O)N(CCc1ccc(F)cc1)Cc1cc2c(OC)c(OC)c(OC)cc2nc1N(C)C
InChIInChI=1S/C26H32FN3O4/c1-7-23(31)30(13-12-17-8-10-19(27)11-9-17)16-18-14-20-21(28-26(18)29(2)3)15-22(32-4)25(34-6)24(20)33-5/h8-11,14-15H,7,12-13,16H2,1-6H3
InChIKeyBZXZCZNHPWCZMW-UHFFFAOYSA-N
XLogP4.45
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 5330462
4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-phenylpiperazine-1-carboxamide
CID 14069011
1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperazin-1-yl]-2-(2,6-dimethoxy-phenoxy)-ethanone
CID 10790988
1-[4-(4-Amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]ethanone
CID 14068999
N-(4-fluorophenyl)-5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine
CID 127051046
N-[4-(dodecyloxy)-3,5-dimethoxyphenyl]-6,7-dimethoxyquinazolin-4-amine
CID 5330467
(E)-1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 14423380
(E)-1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-(3-fluorophenyl)prop-2-en-1-one
CID 14423381
N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide
CID 42396895
6-Methoxy-2-(4,5,6-trimethoxyindol-1-yl)quinoline
CID 54768186
N-(2-fluorophenyl)-5,6,7-trimethoxyquinazolin-4-amine
CID 44158478
N-(4-fluorophenyl)-5,6,7-trimethoxyquinazolin-4-amine
CID 44160123

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 26404861) is N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]propanamide is CCC(=O)N(CCc1ccc(F)cc1)Cc1cc2c(OC)c(OC)c(OC)cc2nc1N(C)C.
What is the InChIKey of N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is BZXZCZNHPWCZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O4/c1-7-23(31)30(13-12-17-8-10-19(27)11-9-17)16-18-14-20-21(28-26(18)29(2)3)15-22(32-4)25(34-6)24(20)33-5/h8-11,14-15H,7,12-13,16H2,1-6H3.
What are the key properties of N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]propanamide?
N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 469.56 g/mol, XLogP of 4.45, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 26404861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).