7-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one

C21H19NO4 — CID 51289110

IUPAC7-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one
SMILESCc1cccc2c1N(C(=O)COc1ccc3ccc(=O)oc3c1)CCC2
InChIInChI=1S/C21H19NO4/c1-14-4-2-5-16-6-3-11-22(21(14)16)19(23)13-25-17-9-7-15-8-10-20(24)26-18(15)12-17/h2,4-5,7-10,12H,3,6,11,13H2,1H3
InChIKeyQRXXZTSPCKCXGW-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.46
Rot. Bonds3

About 7-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one

7-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one (PubChem CID 51289110) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 7-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one.

Molecular Properties

Compound Name7-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one
PubChem CID51289110
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name7-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one
SMILESCc1cccc2c1N(C(=O)COc1ccc3ccc(=O)oc3c1)CCC2
InChIInChI=1S/C21H19NO4/c1-14-4-2-5-16-6-3-11-22(21(14)16)19(23)13-25-17-9-7-15-8-10-20(24)26-18(15)12-17/h2,4-5,7-10,12H,3,6,11,13H2,1H3
InChIKeyQRXXZTSPCKCXGW-UHFFFAOYSA-N
XLogP3.46
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one
CID 55632311
2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 60721467
7-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]chromen-2-one
CID 27840479
7-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethoxy]chromen-2-one
CID 78769592
7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-ethylchromen-2-one
CID 1079187
2-[4-(1,3-dithian-2-yl)phenoxy]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone
CID 112835811
ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 60704653
1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 51289186
7-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethoxy]chromen-2-one
CID 134020445
7-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]chromen-2-one
CID 8882275
4-[2-(2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one
CID 2705042

Frequently Asked Questions

What is the IUPAC name of 7-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one?
The IUPAC name of 7-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one (CID 51289110) is 7-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one.
What is the SMILES notation for 7-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one?
The canonical SMILES for 7-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one is Cc1cccc2c1N(C(=O)COc1ccc3ccc(=O)oc3c1)CCC2.
What is the InChIKey of 7-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one?
The InChIKey is QRXXZTSPCKCXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-14-4-2-5-16-6-3-11-22(21(14)16)19(23)13-25-17-9-7-15-8-10-20(24)26-18(15)12-17/h2,4-5,7-10,12H,3,6,11,13H2,1H3.
What are the key properties of 7-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one?
7-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one has a molecular weight of 349.39 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one is sourced from PubChem (CID 51289110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).