N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2,7-dimethylquinoline-3-carboxamide

C26H33N3O3 — CID 60547561

IUPACN-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2,7-dimethylquinoline-3-carboxamide
SMILESCCN(CC)CCOc1ccc(CNC(=O)c2cc3ccc(C)cc3nc2C)cc1OC
InChIInChI=1S/C26H33N3O3/c1-6-29(7-2)12-13-32-24-11-9-20(15-25(24)31-5)17-27-26(30)22-16-21-10-8-18(3)14-23(21)28-19(22)4/h8-11,14-16H,6-7,12-13,17H2,1-5H3,(H,27,30)
InChIKeyMFGFIBIHMCJLQM-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.51
Rot. Bonds10

About N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2,7-dimethylquinoline-3-carboxamide

N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2,7-dimethylquinoline-3-carboxamide (PubChem CID 60547561) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2,7-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2,7-dimethylquinoline-3-carboxamide
PubChem CID60547561
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2,7-dimethylquinoline-3-carboxamide
SMILESCCN(CC)CCOc1ccc(CNC(=O)c2cc3ccc(C)cc3nc2C)cc1OC
InChIInChI=1S/C26H33N3O3/c1-6-29(7-2)12-13-32-24-11-9-20(15-25(24)31-5)17-27-26(30)22-16-21-10-8-18(3)14-23(21)28-19(22)4/h8-11,14-16H,6-7,12-13,17H2,1-5H3,(H,27,30)
InChIKeyMFGFIBIHMCJLQM-UHFFFAOYSA-N
XLogP4.51
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]benzamide
CID 55931317
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55819078
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide
CID 55474879
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide
CID 55931191
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 55931587
4-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-4-oxobutanoic acid
CID 20992977
2-cyclopropyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55819206
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60547647
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55931330
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 55932224
N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-2,7-dimethylquinoline-3-carboxamide
CID 46439872
5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide
CID 120644583

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2,7-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2,7-dimethylquinoline-3-carboxamide (CID 60547561) is N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2,7-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2,7-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2,7-dimethylquinoline-3-carboxamide is CCN(CC)CCOc1ccc(CNC(=O)c2cc3ccc(C)cc3nc2C)cc1OC.
What is the InChIKey of N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2,7-dimethylquinoline-3-carboxamide?
The InChIKey is MFGFIBIHMCJLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-6-29(7-2)12-13-32-24-11-9-20(15-25(24)31-5)17-27-26(30)22-16-21-10-8-18(3)14-23(21)28-19(22)4/h8-11,14-16H,6-7,12-13,17H2,1-5H3,(H,27,30).
What are the key properties of N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2,7-dimethylquinoline-3-carboxamide?
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2,7-dimethylquinoline-3-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2,7-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 60547561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).