2,4-dimethoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide

C25H29N3O3 — CID 46504665

IUPAC2,4-dimethoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nc(N4CCC(C)CC4)cc(C)c3c2)c(OC)c1
InChIInChI=1S/C25H29N3O3/c1-16-9-11-28(12-10-16)24-13-17(2)21-14-18(5-8-22(21)27-24)26-25(29)20-7-6-19(30-3)15-23(20)31-4/h5-8,13-16H,9-12H2,1-4H3,(H,26,29)
InChIKeyPLNQDJUYOGNXMM-UHFFFAOYSA-N
MW419.53 g/mol
LogP5.05
Rot. Bonds5

About 2,4-dimethoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide

2,4-dimethoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide (PubChem CID 46504665) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
PubChem CID46504665
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name2,4-dimethoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nc(N4CCC(C)CC4)cc(C)c3c2)c(OC)c1
InChIInChI=1S/C25H29N3O3/c1-16-9-11-28(12-10-16)24-13-17(2)21-14-18(5-8-22(21)27-24)26-25(29)20-7-6-19(30-3)15-23(20)31-4/h5-8,13-16H,9-12H2,1-4H3,(H,26,29)
InChIKeyPLNQDJUYOGNXMM-UHFFFAOYSA-N
XLogP5.05
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide
CID 4648744
2-methoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
CID 15987836
4-methoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
CID 15987844
4-ethoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
CID 122174582
N-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide
CID 15995206
2,4-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 1063866
N-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3643543
ethyl 1-(6-methoxy-4-methylquinolin-2-yl)piperidine-4-carboxylate
CID 2852074
N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-methoxyphenyl)butanediamide
CID 22427815
(E)-3-(2,5-dimethoxyphenyl)-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]prop-2-enamide
CID 6265761
2-ethoxy-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]benzamide
CID 3236794
2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17274693

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide (CID 46504665) is 2,4-dimethoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide is COc1ccc(C(=O)Nc2ccc3nc(N4CCC(C)CC4)cc(C)c3c2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide?
The InChIKey is PLNQDJUYOGNXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-16-9-11-28(12-10-16)24-13-17(2)21-14-18(5-8-22(21)27-24)26-25(29)20-7-6-19(30-3)15-23(20)31-4/h5-8,13-16H,9-12H2,1-4H3,(H,26,29).
What are the key properties of 2,4-dimethoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide?
2,4-dimethoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide has a molecular weight of 419.53 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide is sourced from PubChem (CID 46504665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).