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

C21H19NO5 — CID 55632311

IUPAC7-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one
SMILESCOc1cccc2c1N(C(=O)COc1ccc3ccc(=O)oc3c1)CCC2
InChIInChI=1S/C21H19NO5/c1-25-17-6-2-4-15-5-3-11-22(21(15)17)19(23)13-26-16-9-7-14-8-10-20(24)27-18(14)12-16/h2,4,6-10,12H,3,5,11,13H2,1H3
InChIKeyJXWAYDNLRHGZBC-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.16
Rot. Bonds4

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

7-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one (PubChem CID 55632311) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is 7-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one.

Molecular Properties

Compound Name7-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one
PubChem CID55632311
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name7-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one
SMILESCOc1cccc2c1N(C(=O)COc1ccc3ccc(=O)oc3c1)CCC2
InChIInChI=1S/C21H19NO5/c1-25-17-6-2-4-15-5-3-11-22(21(15)17)19(23)13-26-16-9-7-14-8-10-20(24)27-18(14)12-16/h2,4,6-10,12H,3,5,11,13H2,1H3
InChIKeyJXWAYDNLRHGZBC-UHFFFAOYSA-N
XLogP3.16
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one
CID 51289110
7-[2-[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]chromen-2-one
CID 171387457
1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115950342
2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 63681436
2-(4-bromo-2-fluorophenoxy)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43066673
7-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethoxy]chromen-2-one
CID 78769592
2-(1-aminocyclopentyl)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 64677547
7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-ethylchromen-2-one
CID 1079187
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 7652736
3-(ethylamino)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 62834203
(1-aminocyclohexyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60951658
3-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 54876637

Frequently Asked Questions

What is the IUPAC name of 7-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one?
The IUPAC name of 7-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one (CID 55632311) is 7-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one.
What is the SMILES notation for 7-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one?
The canonical SMILES for 7-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one is COc1cccc2c1N(C(=O)COc1ccc3ccc(=O)oc3c1)CCC2.
What is the InChIKey of 7-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one?
The InChIKey is JXWAYDNLRHGZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-25-17-6-2-4-15-5-3-11-22(21(15)17)19(23)13-26-16-9-7-14-8-10-20(24)27-18(14)12-16/h2,4,6-10,12H,3,5,11,13H2,1H3.
What are the key properties of 7-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one?
7-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one has a molecular weight of 365.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one is sourced from PubChem (CID 55632311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).