4-(3-ethoxy-4-propan-2-yloxyphenyl)-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one

C21H25NO4 — CID 171386680

IUPAC4-(3-ethoxy-4-propan-2-yloxyphenyl)-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1cc(C2CC(=O)Nc3cc(O)c(C)cc32)ccc1OC(C)C
InChIInChI=1S/C21H25NO4/c1-5-25-20-9-14(6-7-19(20)26-12(2)3)15-10-21(24)22-17-11-18(23)13(4)8-16(15)17/h6-9,11-12,15,23H,5,10H2,1-4H3,(H,22,24)
InChIKeyKYCNCHRBOICGCO-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.36
Rot. Bonds5

About 4-(3-ethoxy-4-propan-2-yloxyphenyl)-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one

4-(3-ethoxy-4-propan-2-yloxyphenyl)-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 171386680) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 4-(3-ethoxy-4-propan-2-yloxyphenyl)-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(3-ethoxy-4-propan-2-yloxyphenyl)-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID171386680
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name4-(3-ethoxy-4-propan-2-yloxyphenyl)-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1cc(C2CC(=O)Nc3cc(O)c(C)cc32)ccc1OC(C)C
InChIInChI=1S/C21H25NO4/c1-5-25-20-9-14(6-7-19(20)26-12(2)3)15-10-21(24)22-17-11-18(23)13(4)8-16(15)17/h6-9,11-12,15,23H,5,10H2,1-4H3,(H,22,24)
InChIKeyKYCNCHRBOICGCO-UHFFFAOYSA-N
XLogP4.36
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-ethoxy-4-propan-2-yloxyphenyl)-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-bromo-4-(3-ethoxy-4-propan-2-yloxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 22430736
9-(3-ethoxy-4-hydroxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 3162323
(4R)-4-(3-ethoxy-4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7413515
(4S)-6,7-diethoxy-4-(4-ethylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 27518377
(4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 40645363
6,7-diethoxy-4-(4-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 17312443
9-(3-ethoxy-4-hydroxyphenyl)-1-methyl-8,9-dihydro-6H-pyrido[3,2-g][1,4]benzoxazine-2,7-dione
CID 169420516
ethyl 5-[(4R)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
CID 95122995
4-(3,4-diethoxyphenyl)-7-(4-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 17062707
6,7-diethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 17060731
7-hydroxy-6-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 170507807
propyl 4-(3-ethoxy-4-propan-2-yloxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844194

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxy-4-propan-2-yloxyphenyl)-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(3-ethoxy-4-propan-2-yloxyphenyl)-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one (CID 171386680) is 4-(3-ethoxy-4-propan-2-yloxyphenyl)-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(3-ethoxy-4-propan-2-yloxyphenyl)-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(3-ethoxy-4-propan-2-yloxyphenyl)-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one is CCOc1cc(C2CC(=O)Nc3cc(O)c(C)cc32)ccc1OC(C)C.
What is the InChIKey of 4-(3-ethoxy-4-propan-2-yloxyphenyl)-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KYCNCHRBOICGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-5-25-20-9-14(6-7-19(20)26-12(2)3)15-10-21(24)22-17-11-18(23)13(4)8-16(15)17/h6-9,11-12,15,23H,5,10H2,1-4H3,(H,22,24).
What are the key properties of 4-(3-ethoxy-4-propan-2-yloxyphenyl)-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one?
4-(3-ethoxy-4-propan-2-yloxyphenyl)-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 355.43 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxy-4-propan-2-yloxyphenyl)-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 171386680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).