2-[2-ethoxy-4-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenoxy]-N,N-diethylacetamide

C23H28N2O4 — CID 110532677

IUPAC2-[2-ethoxy-4-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenoxy]-N,N-diethylacetamide
SMILESCCOc1cc(C2CC(=O)c3ccccc3N2)ccc1OCC(=O)N(CC)CC
InChIInChI=1S/C23H28N2O4/c1-4-25(5-2)23(27)15-29-21-12-11-16(13-22(21)28-6-3)19-14-20(26)17-9-7-8-10-18(17)24-19/h7-13,19,24H,4-6,14-15H2,1-3H3
InChIKeyPHLBQKUXSIUKSN-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.07
Rot. Bonds8

About 2-[2-ethoxy-4-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenoxy]-N,N-diethylacetamide

2-[2-ethoxy-4-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenoxy]-N,N-diethylacetamide (PubChem CID 110532677) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[2-ethoxy-4-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenoxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenoxy]-N,N-diethylacetamide
PubChem CID110532677
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-[2-ethoxy-4-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenoxy]-N,N-diethylacetamide
SMILESCCOc1cc(C2CC(=O)c3ccccc3N2)ccc1OCC(=O)N(CC)CC
InChIInChI=1S/C23H28N2O4/c1-4-25(5-2)23(27)15-29-21-12-11-16(13-22(21)28-6-3)19-14-20(26)17-9-7-8-10-18(17)24-19/h7-13,19,24H,4-6,14-15H2,1-3H3
InChIKeyPHLBQKUXSIUKSN-UHFFFAOYSA-N
XLogP4.07
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 110538069
4-(3,4-diethoxyphenyl)azetidin-2-one
CID 131885056
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
2-(3,4-diethoxy-5-nitrophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 110535378
propan-2-yl 6-butyl-4-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846890
2-(3-chloro-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 110534841
(2R)-2-[3-ethoxy-4-(2-methylprop-2-enoxy)phenyl]-2,3-dihydro-1,3-benzoxazin-4-one
CID 7449385
2-(4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 78099399
2-(3-chloro-4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 110539671
(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 28773010
2-(4-ethoxy-3-methoxyphenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
CID 50888294
(2S)-3-cyclopropyl-2-(3-ethoxy-4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008714

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenoxy]-N,N-diethylacetamide?
The IUPAC name of 2-[2-ethoxy-4-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenoxy]-N,N-diethylacetamide (CID 110532677) is 2-[2-ethoxy-4-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenoxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-ethoxy-4-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenoxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-ethoxy-4-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenoxy]-N,N-diethylacetamide is CCOc1cc(C2CC(=O)c3ccccc3N2)ccc1OCC(=O)N(CC)CC.
What is the InChIKey of 2-[2-ethoxy-4-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenoxy]-N,N-diethylacetamide?
The InChIKey is PHLBQKUXSIUKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-4-25(5-2)23(27)15-29-21-12-11-16(13-22(21)28-6-3)19-14-20(26)17-9-7-8-10-18(17)24-19/h7-13,19,24H,4-6,14-15H2,1-3H3.
What are the key properties of 2-[2-ethoxy-4-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenoxy]-N,N-diethylacetamide?
2-[2-ethoxy-4-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenoxy]-N,N-diethylacetamide has a molecular weight of 396.49 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenoxy]-N,N-diethylacetamide is sourced from PubChem (CID 110532677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).