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

C18H12N2O — CID 167814827

IUPAC7-isoquinolin-4-yl-1H-quinolin-2-one
SMILESO=c1ccc2ccc(-c3cncc4ccccc34)cc2[nH]1
InChIInChI=1S/C18H12N2O/c21-18-8-7-12-5-6-13(9-17(12)20-18)16-11-19-10-14-3-1-2-4-15(14)16/h1-11H,(H,20,21)
InChIKeyHLFBBNILECYWJX-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.74
Rot. Bonds1

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

7-isoquinolin-4-yl-1H-quinolin-2-one (PubChem CID 167814827) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 7-isoquinolin-4-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-isoquinolin-4-yl-1H-quinolin-2-one
PubChem CID167814827
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name7-isoquinolin-4-yl-1H-quinolin-2-one
SMILESO=c1ccc2ccc(-c3cncc4ccccc34)cc2[nH]1
InChIInChI=1S/C18H12N2O/c21-18-8-7-12-5-6-13(9-17(12)20-18)16-11-19-10-14-3-1-2-4-15(14)16/h1-11H,(H,20,21)
InChIKeyHLFBBNILECYWJX-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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Related Compounds

7-quinolin-4-yl-1H-quinolin-2-one
CID 175792512
1H-benzo[g]quinolin-2-one
CID 19597016
3-isoquinolin-4-ylaniline
CID 22724137
4-(1-benzothiophen-5-yl)isoquinoline
CID 86224261
CID 172719311
CID 172719311
neodymium;1H-quinolin-2-one
CID 175424246
4-(1H-pyrrol-3-yl)isoquinoline
CID 59724469
4-isoquinolin-4-yl-2H-phthalazin-1-one
CID 106518041
4-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-4-ylphenyl)phenyl]phenyl]isoquinoline
CID 118582428
5-isoquinolin-4-ylpyridine-2-carboxylic acid
CID 63938378
4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-4-ylphenyl)phenyl]phenyl]isoquinoline
CID 118582410
4-isoquinolin-4-yl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136692880

Frequently Asked Questions

What is the IUPAC name of 7-isoquinolin-4-yl-1H-quinolin-2-one?
The IUPAC name of 7-isoquinolin-4-yl-1H-quinolin-2-one (CID 167814827) is 7-isoquinolin-4-yl-1H-quinolin-2-one.
What is the SMILES notation for 7-isoquinolin-4-yl-1H-quinolin-2-one?
The canonical SMILES for 7-isoquinolin-4-yl-1H-quinolin-2-one is O=c1ccc2ccc(-c3cncc4ccccc34)cc2[nH]1.
What is the InChIKey of 7-isoquinolin-4-yl-1H-quinolin-2-one?
The InChIKey is HLFBBNILECYWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c21-18-8-7-12-5-6-13(9-17(12)20-18)16-11-19-10-14-3-1-2-4-15(14)16/h1-11H,(H,20,21).
What are the key properties of 7-isoquinolin-4-yl-1H-quinolin-2-one?
7-isoquinolin-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-isoquinolin-4-yl-1H-quinolin-2-one is sourced from PubChem (CID 167814827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).