1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

C24H28N4O3 — CID 78869764

IUPAC1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCCOc1ccc2c(c1)C(C)CC(C)(C)N2C(=O)CCc1nc(-c2ccccn2)no1
InChIInChI=1S/C24H28N4O3/c1-5-30-17-9-10-20-18(14-17)16(2)15-24(3,4)28(20)22(29)12-11-21-26-23(27-31-21)19-8-6-7-13-25-19/h6-10,13-14,16H,5,11-12,15H2,1-4H3
InChIKeyFHAOSXXAEWMZPD-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.78
Rot. Bonds6

About 1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 78869764) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID78869764
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCCOc1ccc2c(c1)C(C)CC(C)(C)N2C(=O)CCc1nc(-c2ccccn2)no1
InChIInChI=1S/C24H28N4O3/c1-5-30-17-9-10-20-18(14-17)16(2)15-24(3,4)28(20)22(29)12-11-21-26-23(27-31-21)19-8-6-7-13-25-19/h6-10,13-14,16H,5,11-12,15H2,1-4H3
InChIKeyFHAOSXXAEWMZPD-UHFFFAOYSA-N
XLogP4.78
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-(2-methylpiperazin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride
CID 119472580
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 119436794
1-(4-methylpiperazin-4-ium-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 6931138
N,N-dipropyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78869082
1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 120740170
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 87018941
1-(2,6-dimethylmorpholin-4-yl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 55570142
1-[(4R)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 99732244
1-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 95590074
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride
CID 120746666
ethyl 4-[[2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoyloxy]acetyl]amino]piperidine-1-carboxylate
CID 46428065
1-(6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 138016212

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 78869764) is 1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is CCOc1ccc2c(c1)C(C)CC(C)(C)N2C(=O)CCc1nc(-c2ccccn2)no1.
What is the InChIKey of 1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is FHAOSXXAEWMZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-5-30-17-9-10-20-18(14-17)16(2)15-24(3,4)28(20)22(29)12-11-21-26-23(27-31-21)19-8-6-7-13-25-19/h6-10,13-14,16H,5,11-12,15H2,1-4H3.
What are the key properties of 1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 420.51 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 78869764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).