N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-(quinolin-7-ylmethyl)aniline

C31H35N3O3 — CID 167466230

IUPACN-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-(quinolin-7-ylmethyl)aniline
SMILESCOc1cccc(CN(Cc2ccc3cccnc3c2)c2ccc(COCCN3CCOCC3)cc2)c1
InChIInChI=1S/C31H35N3O3/c1-35-30-6-2-4-26(20-30)22-34(23-27-7-10-28-5-3-13-32-31(28)21-27)29-11-8-25(9-12-29)24-37-19-16-33-14-17-36-18-15-33/h2-13,20-21H,14-19,22-24H2,1H3
InChIKeyNCLWEZSQAZBTJJ-UHFFFAOYSA-N
MW497.64 g/mol
LogP5.30
Rot. Bonds11

About N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-(quinolin-7-ylmethyl)aniline

N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-(quinolin-7-ylmethyl)aniline (PubChem CID 167466230) has the molecular formula C31H35N3O3 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-(quinolin-7-ylmethyl)aniline.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-(quinolin-7-ylmethyl)aniline
PubChem CID167466230
Molecular FormulaC31H35N3O3
Molecular Weight497.64 g/mol
Exact Mass497.27
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-(quinolin-7-ylmethyl)aniline
SMILESCOc1cccc(CN(Cc2ccc3cccnc3c2)c2ccc(COCCN3CCOCC3)cc2)c1
InChIInChI=1S/C31H35N3O3/c1-35-30-6-2-4-26(20-30)22-34(23-27-7-10-28-5-3-13-32-31(28)21-27)29-11-8-25(9-12-29)24-37-19-16-33-14-17-36-18-15-33/h2-13,20-21H,14-19,22-24H2,1H3
InChIKeyNCLWEZSQAZBTJJ-UHFFFAOYSA-N
XLogP5.30
TPSA47.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indazol-6-ylmethyl)-N-[(3-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethoxymethyl)aniline
CID 167465475
4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]-N-(quinolin-7-ylmethyl)aniline
CID 167466317
N-[[3-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxymethyl)pyridin-4-amine
CID 167466359
N-[(3-methoxyphenyl)methyl]-3-(2-morpholin-4-ylethoxymethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]aniline
CID 167466026
N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)-N-(quinolin-7-ylmethyl)pyridin-4-amine
CID 167465398
N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine
CID 167466247
N-[(3-methoxyphenyl)methyl]-2-[2-(2-morpholin-4-ylethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 167465463
N-[(3-methoxyphenyl)methyl]-3-[2-(2-morpholin-4-ylethoxy)ethoxy]-N-[(3-pyrrolidin-1-ylphenyl)methyl]aniline
CID 167465345
N-[(3-methoxyphenyl)methyl]-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(morpholin-4-ylmethyl)aniline
CID 167465477
N-[(3-methoxyphenyl)methyl]-5-[2-(2-morpholin-4-ylethoxy)ethoxy]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridin-2-amine
CID 167465527
N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-oxazol-2-amine
CID 167465845
N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 167466346

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-(quinolin-7-ylmethyl)aniline?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-(quinolin-7-ylmethyl)aniline (CID 167466230) is N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-(quinolin-7-ylmethyl)aniline.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-(quinolin-7-ylmethyl)aniline?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-(quinolin-7-ylmethyl)aniline is COc1cccc(CN(Cc2ccc3cccnc3c2)c2ccc(COCCN3CCOCC3)cc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-(quinolin-7-ylmethyl)aniline?
The InChIKey is NCLWEZSQAZBTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O3/c1-35-30-6-2-4-26(20-30)22-34(23-27-7-10-28-5-3-13-32-31(28)21-27)29-11-8-25(9-12-29)24-37-19-16-33-14-17-36-18-15-33/h2-13,20-21H,14-19,22-24H2,1H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-(quinolin-7-ylmethyl)aniline?
N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-(quinolin-7-ylmethyl)aniline has a molecular weight of 497.64 g/mol, XLogP of 5.30, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-(quinolin-7-ylmethyl)aniline is sourced from PubChem (CID 167466230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).