7-quinolin-4-yl-1H-quinolin-2-one

C18H12N2O — CID 175792512

IUPAC7-quinolin-4-yl-1H-quinolin-2-one
SMILESO=c1ccc2ccc(-c3ccnc4ccccc34)cc2[nH]1
InChIInChI=1S/C18H12N2O/c21-18-8-7-12-5-6-13(11-17(12)20-18)14-9-10-19-16-4-2-1-3-15(14)16/h1-11H,(H,20,21)
InChIKeyPMTUCQGTSUWBBR-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.74
Rot. Bonds1

About 7-quinolin-4-yl-1H-quinolin-2-one

7-quinolin-4-yl-1H-quinolin-2-one (PubChem CID 175792512) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 7-quinolin-4-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-quinolin-4-yl-1H-quinolin-2-one
PubChem CID175792512
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name7-quinolin-4-yl-1H-quinolin-2-one
SMILESO=c1ccc2ccc(-c3ccnc4ccccc34)cc2[nH]1
InChIInChI=1S/C18H12N2O/c21-18-8-7-12-5-6-13(11-17(12)20-18)14-9-10-19-16-4-2-1-3-15(14)16/h1-11H,(H,20,21)
InChIKeyPMTUCQGTSUWBBR-UHFFFAOYSA-N
XLogP3.74
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-quinolin-4-yl-1H-quinolin-2-one?
The IUPAC name of 7-quinolin-4-yl-1H-quinolin-2-one (CID 175792512) is 7-quinolin-4-yl-1H-quinolin-2-one.
What is the SMILES notation for 7-quinolin-4-yl-1H-quinolin-2-one?
The canonical SMILES for 7-quinolin-4-yl-1H-quinolin-2-one is O=c1ccc2ccc(-c3ccnc4ccccc34)cc2[nH]1.
What is the InChIKey of 7-quinolin-4-yl-1H-quinolin-2-one?
The InChIKey is PMTUCQGTSUWBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c21-18-8-7-12-5-6-13(11-17(12)20-18)14-9-10-19-16-4-2-1-3-15(14)16/h1-11H,(H,20,21).
What are the key properties of 7-quinolin-4-yl-1H-quinolin-2-one?
7-quinolin-4-yl-1H-quinolin-2-one has a molecular weight of 272.31 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-quinolin-4-yl-1H-quinolin-2-one is sourced from PubChem (CID 175792512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).