3-(2-aminoquinolin-4-yl)oxy-N-ethylbenzamide

C18H17N3O2 — CID 166050629

IUPAC3-(2-aminoquinolin-4-yl)oxy-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(Oc2cc(N)nc3ccccc23)c1
InChIInChI=1S/C18H17N3O2/c1-2-20-18(22)12-6-5-7-13(10-12)23-16-11-17(19)21-15-9-4-3-8-14(15)16/h3-11H,2H2,1H3,(H2,19,21)(H,20,22)
InChIKeyFHRBQDNVANHMPJ-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.36
Rot. Bonds4

About 3-(2-aminoquinolin-4-yl)oxy-N-ethylbenzamide

3-(2-aminoquinolin-4-yl)oxy-N-ethylbenzamide (PubChem CID 166050629) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-(2-aminoquinolin-4-yl)oxy-N-ethylbenzamide.

Molecular Properties

Compound Name3-(2-aminoquinolin-4-yl)oxy-N-ethylbenzamide
PubChem CID166050629
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-(2-aminoquinolin-4-yl)oxy-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(Oc2cc(N)nc3ccccc23)c1
InChIInChI=1S/C18H17N3O2/c1-2-20-18(22)12-6-5-7-13(10-12)23-16-11-17(19)21-15-9-4-3-8-14(15)16/h3-11H,2H2,1H3,(H2,19,21)(H,20,22)
InChIKeyFHRBQDNVANHMPJ-UHFFFAOYSA-N
XLogP3.36
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenoxy)-N-ethylbenzamide
CID 12941905
3-(2,4-dimethylphenoxy)-N-ethylbenzamide
CID 12941864
3-(2,5-dichlorophenoxy)-N-ethylbenzamide
CID 12941782
3-(2-chloro-4-methylphenoxy)-N-ethylbenzamide
CID 12941937
N-[2-(2-methylphenyl)ethyl]-3-quinolin-4-yloxybenzamide
CID 167571163
3-(8-aminoquinolin-4-yl)oxy-N-benzylbenzamide
CID 155779006
N-[2-(2-methoxyphenyl)ethyl]-3-quinolin-4-yloxybenzamide
CID 155779033
N-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide
CID 166050621
N-ethylbenzamide
CID 160772566
N-(2-oxoethyl)-3-phenoxybenzamide
CID 100943832
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
1-(3-naphthalen-1-yloxyphenyl)propan-1-one
CID 22660295

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinolin-4-yl)oxy-N-ethylbenzamide?
The IUPAC name of 3-(2-aminoquinolin-4-yl)oxy-N-ethylbenzamide (CID 166050629) is 3-(2-aminoquinolin-4-yl)oxy-N-ethylbenzamide.
What is the SMILES notation for 3-(2-aminoquinolin-4-yl)oxy-N-ethylbenzamide?
The canonical SMILES for 3-(2-aminoquinolin-4-yl)oxy-N-ethylbenzamide is CCNC(=O)c1cccc(Oc2cc(N)nc3ccccc23)c1.
What is the InChIKey of 3-(2-aminoquinolin-4-yl)oxy-N-ethylbenzamide?
The InChIKey is FHRBQDNVANHMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-20-18(22)12-6-5-7-13(10-12)23-16-11-17(19)21-15-9-4-3-8-14(15)16/h3-11H,2H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of 3-(2-aminoquinolin-4-yl)oxy-N-ethylbenzamide?
3-(2-aminoquinolin-4-yl)oxy-N-ethylbenzamide has a molecular weight of 307.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinolin-4-yl)oxy-N-ethylbenzamide is sourced from PubChem (CID 166050629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).