[4-benzyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidin-4-yl]-morpholin-4-ylmethanone

C35H40N4O3 — CID 59644218

IUPAC[4-benzyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1cc(Nc2cccc(OCCN3CCC(Cc4ccccc4)(C(=O)N4CCOCC4)CC3)c2)c2ccccc2n1
InChIInChI=1S/C35H40N4O3/c1-27-24-33(31-12-5-6-13-32(31)36-27)37-29-10-7-11-30(25-29)42-23-18-38-16-14-35(15-17-38,26-28-8-3-2-4-9-28)34(40)39-19-21-41-22-20-39/h2-13,24-25H,14-23,26H2,1H3,(H,36,37)
InChIKeyOJTQHGYBGRBUQH-UHFFFAOYSA-N
MW564.73 g/mol
LogP5.85
Rot. Bonds9

About [4-benzyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidin-4-yl]-morpholin-4-ylmethanone

[4-benzyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 59644218) has the molecular formula C35H40N4O3 and a molecular weight of 564.73 g/mol. Its IUPAC name is [4-benzyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-benzyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID59644218
Molecular FormulaC35H40N4O3
Molecular Weight564.73 g/mol
Exact Mass564.31
IUPAC Name[4-benzyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1cc(Nc2cccc(OCCN3CCC(Cc4ccccc4)(C(=O)N4CCOCC4)CC3)c2)c2ccccc2n1
InChIInChI=1S/C35H40N4O3/c1-27-24-33(31-12-5-6-13-32(31)36-27)37-29-10-7-11-30(25-29)42-23-18-38-16-14-35(15-17-38,26-28-8-3-2-4-9-28)34(40)39-19-21-41-22-20-39/h2-13,24-25H,14-23,26H2,1H3,(H,36,37)
InChIKeyOJTQHGYBGRBUQH-UHFFFAOYSA-N
XLogP5.85
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-benzyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidin-4-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

4-benzyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid
CID 58958150
N,4-dibenzyl-N-methyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxamide
CID 59644209
4-methyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid
CID 59644216
4-hexyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidine-4-carboxylic acid
CID 59644326
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[(2-methylquinolin-4-yl)amino]benzamide
CID 58958075
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
N-[3-[2-[4-(3,5-dimethylphenyl)-4-methylpiperidin-1-yl]ethoxy]-5-(trifluoromethyl)phenyl]-2-methylquinolin-4-amine
CID 71137961
4-[2-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenoxy]ethyl]morpholine
CID 10195770
2-methyl-N-[3-[3-(2-phenylpropan-2-ylamino)propoxy]phenyl]quinolin-4-amine
CID 10071079
dimethyl 3-[3-(2-morpholin-4-ylethoxy)anilino]benzene-1,2-dicarboxylate
CID 58307153
N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 68650109

Frequently Asked Questions

What is the IUPAC name of [4-benzyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-benzyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 59644218) is [4-benzyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-benzyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-benzyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidin-4-yl]-morpholin-4-ylmethanone is Cc1cc(Nc2cccc(OCCN3CCC(Cc4ccccc4)(C(=O)N4CCOCC4)CC3)c2)c2ccccc2n1.
What is the InChIKey of [4-benzyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is OJTQHGYBGRBUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N4O3/c1-27-24-33(31-12-5-6-13-32(31)36-27)37-29-10-7-11-30(25-29)42-23-18-38-16-14-35(15-17-38,26-28-8-3-2-4-9-28)34(40)39-19-21-41-22-20-39/h2-13,24-25H,14-23,26H2,1H3,(H,36,37).
What are the key properties of [4-benzyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidin-4-yl]-morpholin-4-ylmethanone?
[4-benzyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 564.73 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-benzyl-1-[2-[3-[(2-methylquinolin-4-yl)amino]phenoxy]ethyl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 59644218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).