7-isoquinolin-4-yl-3-(2-methoxyphenyl)-1,2-benzoxazole

C23H16N2O2 — CID 89478582

IUPAC7-isoquinolin-4-yl-3-(2-methoxyphenyl)-1,2-benzoxazole
SMILESCOc1ccccc1-c1noc2c(-c3cncc4ccccc34)cccc12
InChIInChI=1S/C23H16N2O2/c1-26-21-12-5-4-9-18(21)22-19-11-6-10-17(23(19)27-25-22)20-14-24-13-15-7-2-3-8-16(15)20/h2-14H,1H3
InChIKeySLVPGOZSFBPRTH-UHFFFAOYSA-N
MW352.39 g/mol
LogP5.72
Rot. Bonds3

About 7-isoquinolin-4-yl-3-(2-methoxyphenyl)-1,2-benzoxazole

7-isoquinolin-4-yl-3-(2-methoxyphenyl)-1,2-benzoxazole (PubChem CID 89478582) has the molecular formula C23H16N2O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is 7-isoquinolin-4-yl-3-(2-methoxyphenyl)-1,2-benzoxazole.

Molecular Properties

Compound Name7-isoquinolin-4-yl-3-(2-methoxyphenyl)-1,2-benzoxazole
PubChem CID89478582
Molecular FormulaC23H16N2O2
Molecular Weight352.39 g/mol
Exact Mass352.12
IUPAC Name7-isoquinolin-4-yl-3-(2-methoxyphenyl)-1,2-benzoxazole
SMILESCOc1ccccc1-c1noc2c(-c3cncc4ccccc34)cccc12
InChIInChI=1S/C23H16N2O2/c1-26-21-12-5-4-9-18(21)22-19-11-6-10-17(23(19)27-25-22)20-14-24-13-15-7-2-3-8-16(15)20/h2-14H,1H3
InChIKeySLVPGOZSFBPRTH-UHFFFAOYSA-N
XLogP5.72
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.39
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-(2-methoxyphenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
CID 44418317
7-(4-Methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole
CID 71515497
(4-Methoxy-naphthalen-1-yl)-[1-(1-methyl-piperidin-2-ylmethyl)-1H-indol-3-yl]-methanone
CID 11690129
7-(2-methoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole
CID 60148285
5-Methoxy-3-pyridin-4-ylbenzo[f][1,2]benzoxazole-4,9-dione
CID 60165531
3-(1-Benzylpyridin-1-ium-4-yl)-5-methoxybenzo[f][1,2]benzoxazole-4,9-dione bromide
CID 60165668
3-[(4-Methoxyphenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole
CID 71544431
7-(4-Methyl-3-pyridinyl)-3-(naphthalen-2-ylmethoxy)-1,2-benzoxazole
CID 89480267
7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 3241578
7-(4-Methoxybenzyl)-6-phenyl-5,4-e]isoindole
CID 54613109
4-methoxy-[7-(4-methoxybenzyl)-4,5,7,8b-tetrahydro-3aH-isoxazolo[5,4-e]isoindol-6-yl]phenol
CID 60148279
4-(4-Methoxyphenyl)-5-(2-methylquinolin-4-yl)-1,2-oxazole
CID 177659073

Frequently Asked Questions

What is the IUPAC name of 7-isoquinolin-4-yl-3-(2-methoxyphenyl)-1,2-benzoxazole?
The IUPAC name of 7-isoquinolin-4-yl-3-(2-methoxyphenyl)-1,2-benzoxazole (CID 89478582) is 7-isoquinolin-4-yl-3-(2-methoxyphenyl)-1,2-benzoxazole.
What is the SMILES notation for 7-isoquinolin-4-yl-3-(2-methoxyphenyl)-1,2-benzoxazole?
The canonical SMILES for 7-isoquinolin-4-yl-3-(2-methoxyphenyl)-1,2-benzoxazole is COc1ccccc1-c1noc2c(-c3cncc4ccccc34)cccc12.
What is the InChIKey of 7-isoquinolin-4-yl-3-(2-methoxyphenyl)-1,2-benzoxazole?
The InChIKey is SLVPGOZSFBPRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2/c1-26-21-12-5-4-9-18(21)22-19-11-6-10-17(23(19)27-25-22)20-14-24-13-15-7-2-3-8-16(15)20/h2-14H,1H3.
What are the key properties of 7-isoquinolin-4-yl-3-(2-methoxyphenyl)-1,2-benzoxazole?
7-isoquinolin-4-yl-3-(2-methoxyphenyl)-1,2-benzoxazole has a molecular weight of 352.39 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-isoquinolin-4-yl-3-(2-methoxyphenyl)-1,2-benzoxazole is sourced from PubChem (CID 89478582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).