N-[2-(3-methoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide

C25H29N3O2 — CID 46090943

IUPACN-[2-(3-methoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(N3CCCC(C)C3)nc3ccccc23)c1
InChIInChI=1S/C25H29N3O2/c1-18-7-6-14-28(17-18)24-16-22(21-10-3-4-11-23(21)27-24)25(29)26-13-12-19-8-5-9-20(15-19)30-2/h3-5,8-11,15-16,18H,6-7,12-14,17H2,1-2H3,(H,26,29)
InChIKeyXEGNBHWDTUBFIU-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.45
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide (PubChem CID 46090943) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
PubChem CID46090943
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(N3CCCC(C)C3)nc3ccccc23)c1
InChIInChI=1S/C25H29N3O2/c1-18-7-6-14-28(17-18)24-16-22(21-10-3-4-11-23(21)27-24)25(29)26-13-12-19-8-5-9-20(15-19)30-2/h3-5,8-11,15-16,18H,6-7,12-14,17H2,1-2H3,(H,26,29)
InChIKeyXEGNBHWDTUBFIU-UHFFFAOYSA-N
XLogP4.45
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-methylpiperidin-1-yl]-N-(naphthalen-1-ylmethyl)quinoline-4-carboxamide
CID 92772448
N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
CID 46090941
N-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide
CID 98638684
N-(3,3-dimethylbutan-2-yl)-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
CID 46090939
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109372214
N-[2-(3-methoxyphenyl)ethyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109025513
N-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109159052
2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 9377696
2-[(3S)-3-methylpiperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoline-4-carboxamide
CID 129423269
N-[2-(3-methoxyphenyl)ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 53043839
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-propoxypropyl)quinoline-4-carboxamide
CID 46090934
N-[(3-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-yl]-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 92724307

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide (CID 46090943) is N-[2-(3-methoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide is COc1cccc(CCNC(=O)c2cc(N3CCCC(C)C3)nc3ccccc23)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide?
The InChIKey is XEGNBHWDTUBFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-18-7-6-14-28(17-18)24-16-22(21-10-3-4-11-23(21)27-24)25(29)26-13-12-19-8-5-9-20(15-19)30-2/h3-5,8-11,15-16,18H,6-7,12-14,17H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 46090943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).