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

C22H21NO4 — CID 1079187

IUPAC7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-ethylchromen-2-one
SMILESCCc1cc(=O)oc2cc(OCC(=O)N3CCCc4ccccc43)ccc12
InChIInChI=1S/C22H21NO4/c1-2-15-12-22(25)27-20-13-17(9-10-18(15)20)26-14-21(24)23-11-5-7-16-6-3-4-8-19(16)23/h3-4,6,8-10,12-13H,2,5,7,11,14H2,1H3
InChIKeyCVPNUVJYEGBRNU-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.71
Rot. Bonds4

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

7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-ethylchromen-2-one (PubChem CID 1079187) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-ethylchromen-2-one.

Molecular Properties

Compound Name7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-ethylchromen-2-one
PubChem CID1079187
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-ethylchromen-2-one
SMILESCCc1cc(=O)oc2cc(OCC(=O)N3CCCc4ccccc43)ccc12
InChIInChI=1S/C22H21NO4/c1-2-15-12-22(25)27-20-13-17(9-10-18(15)20)26-14-21(24)23-11-5-7-16-6-3-4-8-19(16)23/h3-4,6,8-10,12-13H,2,5,7,11,14H2,1H3
InChIKeyCVPNUVJYEGBRNU-UHFFFAOYSA-N
XLogP3.71
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.71
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

4-methyl-7-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one
CID 27311229
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 7652736
4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-7-methylchromen-2-one
CID 41180251
2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 730148
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-phenylphenoxy)ethanone
CID 2788983
7-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 1178038
7-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethoxy]-4-ethylchromen-2-one
CID 41402895
7-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one
CID 51289110
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methylbutoxy)phenoxy]ethanone
CID 4732912
butyl 2-(4-ethyl-2-oxochromen-7-yl)oxyacetate
CID 40545622
4-ethyl-7-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]chromen-2-one
CID 171386816
N-cyclohexyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-methylacetamide
CID 4816840

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-ethylchromen-2-one?
The IUPAC name of 7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-ethylchromen-2-one (CID 1079187) is 7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-ethylchromen-2-one.
What is the SMILES notation for 7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-ethylchromen-2-one?
The canonical SMILES for 7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-ethylchromen-2-one is CCc1cc(=O)oc2cc(OCC(=O)N3CCCc4ccccc43)ccc12.
What is the InChIKey of 7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-ethylchromen-2-one?
The InChIKey is CVPNUVJYEGBRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-2-15-12-22(25)27-20-13-17(9-10-18(15)20)26-14-21(24)23-11-5-7-16-6-3-4-8-19(16)23/h3-4,6,8-10,12-13H,2,5,7,11,14H2,1H3.
What are the key properties of 7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-ethylchromen-2-one?
7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-ethylchromen-2-one has a molecular weight of 363.41 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-ethylchromen-2-one is sourced from PubChem (CID 1079187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).