1-(4-methoxybenzoyl)-4-oxo-2,3-dihydroquinoline-2-carbonitrile

C18H14N2O3 — CID 10425250

IUPAC1-(4-methoxybenzoyl)-4-oxo-2,3-dihydroquinoline-2-carbonitrile
SMILESCOc1ccc(C(=O)N2c3ccccc3C(=O)CC2C#N)cc1
InChIInChI=1S/C18H14N2O3/c1-23-14-8-6-12(7-9-14)18(22)20-13(11-19)10-17(21)15-4-2-3-5-16(15)20/h2-9,13H,10H2,1H3
InChIKeyRYAXBIHQAASKCQ-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.82
Rot. Bonds2

About 1-(4-methoxybenzoyl)-4-oxo-2,3-dihydroquinoline-2-carbonitrile

1-(4-methoxybenzoyl)-4-oxo-2,3-dihydroquinoline-2-carbonitrile (PubChem CID 10425250) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-(4-methoxybenzoyl)-4-oxo-2,3-dihydroquinoline-2-carbonitrile.

Molecular Properties

Compound Name1-(4-methoxybenzoyl)-4-oxo-2,3-dihydroquinoline-2-carbonitrile
PubChem CID10425250
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name1-(4-methoxybenzoyl)-4-oxo-2,3-dihydroquinoline-2-carbonitrile
SMILESCOc1ccc(C(=O)N2c3ccccc3C(=O)CC2C#N)cc1
InChIInChI=1S/C18H14N2O3/c1-23-14-8-6-12(7-9-14)18(22)20-13(11-19)10-17(21)15-4-2-3-5-16(15)20/h2-9,13H,10H2,1H3
InChIKeyRYAXBIHQAASKCQ-UHFFFAOYSA-N
XLogP2.82
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybenzoyl)-4-oxo-2,3-dihydroquinoline-2-carbonitrile?
The IUPAC name of 1-(4-methoxybenzoyl)-4-oxo-2,3-dihydroquinoline-2-carbonitrile (CID 10425250) is 1-(4-methoxybenzoyl)-4-oxo-2,3-dihydroquinoline-2-carbonitrile.
What is the SMILES notation for 1-(4-methoxybenzoyl)-4-oxo-2,3-dihydroquinoline-2-carbonitrile?
The canonical SMILES for 1-(4-methoxybenzoyl)-4-oxo-2,3-dihydroquinoline-2-carbonitrile is COc1ccc(C(=O)N2c3ccccc3C(=O)CC2C#N)cc1.
What is the InChIKey of 1-(4-methoxybenzoyl)-4-oxo-2,3-dihydroquinoline-2-carbonitrile?
The InChIKey is RYAXBIHQAASKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-23-14-8-6-12(7-9-14)18(22)20-13(11-19)10-17(21)15-4-2-3-5-16(15)20/h2-9,13H,10H2,1H3.
What are the key properties of 1-(4-methoxybenzoyl)-4-oxo-2,3-dihydroquinoline-2-carbonitrile?
1-(4-methoxybenzoyl)-4-oxo-2,3-dihydroquinoline-2-carbonitrile has a molecular weight of 306.32 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybenzoyl)-4-oxo-2,3-dihydroquinoline-2-carbonitrile is sourced from PubChem (CID 10425250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).