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

C23H27N3O2 — CID 56670173

IUPAC2-[3-(aminomethyl)-4-(3-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide
SMILESCc1cccc(-c2c(CN)c(CC(C)C)nc3ccc(OCC(N)=O)cc23)c1
InChIInChI=1S/C23H27N3O2/c1-14(2)9-21-19(12-24)23(16-6-4-5-15(3)10-16)18-11-17(28-13-22(25)27)7-8-20(18)26-21/h4-8,10-11,14H,9,12-13,24H2,1-3H3,(H2,25,27)
InChIKeyBYBQMJXVOCMKNT-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.73
Rot. Bonds7

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

2-[3-(aminomethyl)-4-(3-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide (PubChem CID 56670173) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-4-(3-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-4-(3-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide
PubChem CID56670173
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-[3-(aminomethyl)-4-(3-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide
SMILESCc1cccc(-c2c(CN)c(CC(C)C)nc3ccc(OCC(N)=O)cc23)c1
InChIInChI=1S/C23H27N3O2/c1-14(2)9-21-19(12-24)23(16-6-4-5-15(3)10-16)18-11-17(28-13-22(25)27)7-8-20(18)26-21/h4-8,10-11,14H,9,12-13,24H2,1-3H3,(H2,25,27)
InChIKeyBYBQMJXVOCMKNT-UHFFFAOYSA-N
XLogP3.73
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-4-(3-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide?
The IUPAC name of 2-[3-(aminomethyl)-4-(3-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide (CID 56670173) is 2-[3-(aminomethyl)-4-(3-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-4-(3-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide?
The canonical SMILES for 2-[3-(aminomethyl)-4-(3-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide is Cc1cccc(-c2c(CN)c(CC(C)C)nc3ccc(OCC(N)=O)cc23)c1.
What is the InChIKey of 2-[3-(aminomethyl)-4-(3-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide?
The InChIKey is BYBQMJXVOCMKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-14(2)9-21-19(12-24)23(16-6-4-5-15(3)10-16)18-11-17(28-13-22(25)27)7-8-20(18)26-21/h4-8,10-11,14H,9,12-13,24H2,1-3H3,(H2,25,27).
What are the key properties of 2-[3-(aminomethyl)-4-(3-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide?
2-[3-(aminomethyl)-4-(3-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide has a molecular weight of 377.49 g/mol, XLogP of 3.73, 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-(3-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetamide is sourced from PubChem (CID 56670173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).