2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxypropanamide

C24H29N3O2 — CID 91246603

IUPAC2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxypropanamide
SMILESCc1ccc(-c2c(CN)c(CC(C)C)nc3ccc(OC(C)C(N)=O)cc23)cc1
InChIInChI=1S/C24H29N3O2/c1-14(2)11-22-20(13-25)23(17-7-5-15(3)6-8-17)19-12-18(9-10-21(19)27-22)29-16(4)24(26)28/h5-10,12,14,16H,11,13,25H2,1-4H3,(H2,26,28)
InChIKeyJURZSSOROKPUTA-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.12
Rot. Bonds7

About 2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxypropanamide

2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxypropanamide (PubChem CID 91246603) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxypropanamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxypropanamide
PubChem CID91246603
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxypropanamide
SMILESCc1ccc(-c2c(CN)c(CC(C)C)nc3ccc(OC(C)C(N)=O)cc23)cc1
InChIInChI=1S/C24H29N3O2/c1-14(2)11-22-20(13-25)23(17-7-5-15(3)6-8-17)19-12-18(9-10-21(19)27-22)29-16(4)24(26)28/h5-10,12,14,16H,11,13,25H2,1-4H3,(H2,26,28)
InChIKeyJURZSSOROKPUTA-UHFFFAOYSA-N
XLogP4.12
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetic acid;dihydrochloride
CID 68828690
methyl 2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetate;dihydrochloride
CID 90664828
2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxy-N-methylacetamide;dihydrochloride
CID 68830038
2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyethyl ethaneperoxoate
CID 87715905
2-[3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinolin-6-yl]oxyacetamide
CID 56659853
[4-(4-methylphenyl)-2-(2-methylpropyl)-6-(2H-tetrazol-5-ylmethoxy)quinolin-3-yl]methanamine;dihydrochloride
CID 68828698
(4-methylphenyl)sulfonyl 2-[2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyethoxy]acetate
CID 87590892
[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]-ethylcarbamic acid;dihydrochloride
CID 68828947
6-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]hexanoic acid;dihydrochloride
CID 51050550
[6-[2-(methylamino)-2-oxoethoxy]-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-3-yl]methylcarbamic acid
CID 68829831
[6-(cyanomethoxy)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-3-yl]methylcarbamic acid
CID 68834233
[6-(4-amino-4-oxobutoxy)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-3-yl]methyl N-tert-butylcarbamate
CID 91370597

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxypropanamide?
The IUPAC name of 2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxypropanamide (CID 91246603) is 2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxypropanamide.
What is the SMILES notation for 2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxypropanamide?
The canonical SMILES for 2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxypropanamide is Cc1ccc(-c2c(CN)c(CC(C)C)nc3ccc(OC(C)C(N)=O)cc23)cc1.
What is the InChIKey of 2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxypropanamide?
The InChIKey is JURZSSOROKPUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-14(2)11-22-20(13-25)23(17-7-5-15(3)6-8-17)19-12-18(9-10-21(19)27-22)29-16(4)24(26)28/h5-10,12,14,16H,11,13,25H2,1-4H3,(H2,26,28).
What are the key properties of 2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxypropanamide?
2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxypropanamide has a molecular weight of 391.52 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxypropanamide is sourced from PubChem (CID 91246603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).