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

C22H21NO4 — CID 2969255

IUPAC7-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OC(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
InChIKeyJCKJQQBIFRYXFD-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.85
Rot. Bonds3

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

7-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one (PubChem CID 2969255) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 7-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
PubChem CID2969255
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name7-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OC(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
InChIKeyJCKJQQBIFRYXFD-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one?
The IUPAC name of 7-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one (CID 2969255) is 7-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one.
What is the SMILES notation for 7-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one?
The canonical SMILES for 7-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one is Cc1cc(=O)oc2cc(OC(C)C(=O)N3CCCc4ccccc43)ccc12.
What is the InChIKey of 7-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one?
The InChIKey is JCKJQQBIFRYXFD-UHFFFAOYSA-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.
What are the key properties of 7-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one?
7-[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-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one is sourced from PubChem (CID 2969255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).