N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-4-methylbenzamide

C24H26N2O4 — CID 162655667

IUPACN-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-4-methylbenzamide
SMILESCOc1ccc2nccc(CCC3OCC(NC(=O)c4ccc(C)cc4)CO3)c2c1
InChIInChI=1S/C24H26N2O4/c1-16-3-5-18(6-4-16)24(27)26-19-14-29-23(30-15-19)10-7-17-11-12-25-22-9-8-20(28-2)13-21(17)22/h3-6,8-9,11-13,19,23H,7,10,14-15H2,1-2H3,(H,26,27)
InChIKeyLTAIYJYCNFSYJU-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.66
Rot. Bonds6

About N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-4-methylbenzamide

N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-4-methylbenzamide (PubChem CID 162655667) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-4-methylbenzamide
PubChem CID162655667
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC NameN-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-4-methylbenzamide
SMILESCOc1ccc2nccc(CCC3OCC(NC(=O)c4ccc(C)cc4)CO3)c2c1
InChIInChI=1S/C24H26N2O4/c1-16-3-5-18(6-4-16)24(27)26-19-14-29-23(30-15-19)10-7-17-11-12-25-22-9-8-20(28-2)13-21(17)22/h3-6,8-9,11-13,19,23H,7,10,14-15H2,1-2H3,(H,26,27)
InChIKeyLTAIYJYCNFSYJU-UHFFFAOYSA-N
XLogP3.66
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-amine
CID 146503197
N-[2-(6-methoxyquinolin-4-yl)ethyl]cyclopropanecarboxamide
CID 19709964
4-[2-[5-[2-(5-chloro-2-pyridinyl)ethyl]-1,3-dioxan-2-yl]ethyl]-6-methoxyquinoline
CID 158901207
ethyl 3-(6-methoxyquinolin-4-yl)propanoate
CID 66736782
3-(6-methoxyquinolin-4-yl)propanal
CID 10751165
N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-4-methylquinoline-6-carboxamide
CID 126812723
2-[(3R,4R)-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]acetic acid
CID 21347710
N-[(3S,3aS,6R,6aR)-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-methylbenzamide
CID 162980082
2-[(2R,3R,6R)-3-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-[2-(6-methoxyquinolin-4-yl)ethyl]oxan-2-yl]acetic acid;dihydrochloride
CID 69184699
tert-butyl N-[4-[(1S)-1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]carbamate
CID 68631993
N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 4162047
3-[(3R,4R)-4-[3-(6-methoxyquinolin-4-yl)propyl]-1-[3-(4-methylphenyl)prop-2-ynyl]piperidin-3-yl]propanoic acid
CID 70176234

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-4-methylbenzamide?
The IUPAC name of N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-4-methylbenzamide (CID 162655667) is N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-4-methylbenzamide?
The canonical SMILES for N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-4-methylbenzamide is COc1ccc2nccc(CCC3OCC(NC(=O)c4ccc(C)cc4)CO3)c2c1.
What is the InChIKey of N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-4-methylbenzamide?
The InChIKey is LTAIYJYCNFSYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-16-3-5-18(6-4-16)24(27)26-19-14-29-23(30-15-19)10-7-17-11-12-25-22-9-8-20(28-2)13-21(17)22/h3-6,8-9,11-13,19,23H,7,10,14-15H2,1-2H3,(H,26,27).
What are the key properties of N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-4-methylbenzamide?
N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-4-methylbenzamide has a molecular weight of 406.48 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]-4-methylbenzamide is sourced from PubChem (CID 162655667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).