7-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one

C22H21NO4 — CID 1178038

IUPAC7-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(O[C@H](C)C(=O)N3CCCc4ccccc43)ccc12
InChIInChI=1S/C22H21NO4/c1-14-12-21(24)27-20-13-17(9-10-18(14)20)26-15(2)22(25)23-11-5-7-16-6-3-4-8-19(16)23/h3-4,6,8-10,12-13,15H,5,7,11H2,1-2H3/t15-/m1/s1
InChIKeyJCKJQQBIFRYXFD-OAHLLOKOSA-N
MW363.41 g/mol
LogP3.85
Rot. Bonds3

About 7-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one

7-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one (PubChem CID 1178038) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 7-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
PubChem CID1178038
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name7-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(O[C@H](C)C(=O)N3CCCc4ccccc43)ccc12
InChIInChI=1S/C22H21NO4/c1-14-12-21(24)27-20-13-17(9-10-18(14)20)26-15(2)22(25)23-11-5-7-16-6-3-4-8-19(16)23/h3-4,6,8-10,12-13,15H,5,7,11H2,1-2H3/t15-/m1/s1
InChIKeyJCKJQQBIFRYXFD-OAHLLOKOSA-N
XLogP3.85
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one with MolForge

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
(2R)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7376112
(2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7376111
4-methyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxychromen-2-one
CID 734865
N-(4-methyl-2-oxochromen-7-yl)-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 17373698
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)propan-1-one
CID 2976581
1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethylphenoxy)propan-1-one
CID 132650039
7-[(2R)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 7610793
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,4-dimethylphenoxy)propan-1-one
CID 132650377
7-[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 7967815
2-(4-methyl-2-oxochromen-7-yl)oxypropanoic acid
CID 2787139
7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-ethylchromen-2-one
CID 1079187

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one?
The IUPAC name of 7-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one (CID 1178038) is 7-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one.
What is the SMILES notation for 7-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one?
The canonical SMILES for 7-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one is Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N3CCCc4ccccc43)ccc12.
What is the InChIKey of 7-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one?
The InChIKey is JCKJQQBIFRYXFD-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H21NO4/c1-14-12-21(24)27-20-13-17(9-10-18(14)20)26-15(2)22(25)23-11-5-7-16-6-3-4-8-19(16)23/h3-4,6,8-10,12-13,15H,5,7,11H2,1-2H3/t15-/m1/s1.
What are the key properties of 7-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one?
7-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one has a molecular weight of 363.41 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one is sourced from PubChem (CID 1178038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).