[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate

C21H19N3O4 — CID 7995483

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(Cn1cnc2ccccc2c1=O)OCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C21H19N3O4/c25-19(24-11-5-7-15-6-1-4-10-18(15)24)13-28-20(26)12-23-14-22-17-9-3-2-8-16(17)21(23)27/h1-4,6,8-10,14H,5,7,11-13H2
InChIKeyOUKSLXFXBVGSJO-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.92
Rot. Bonds4

About [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 7995483) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID7995483
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(Cn1cnc2ccccc2c1=O)OCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C21H19N3O4/c25-19(24-11-5-7-15-6-1-4-10-18(15)24)13-28-20(26)12-23-14-22-17-9-3-2-8-16(17)21(23)27/h1-4,6,8-10,14H,5,7,11-13H2
InChIKeyOUKSLXFXBVGSJO-UHFFFAOYSA-N
XLogP1.92
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (CID 7995483) is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is O=C(Cn1cnc2ccccc2c1=O)OCC(=O)N1CCCc2ccccc21.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is OUKSLXFXBVGSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c25-19(24-11-5-7-15-6-1-4-10-18(15)24)13-28-20(26)12-23-14-22-17-9-3-2-8-16(17)21(23)27/h1-4,6,8-10,14H,5,7,11-13H2.
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 377.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 7995483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).