(6-hydroxy-7-methoxyisoquinolin-1-yl)-phenylmethanone

C17H13NO3 — CID 135470361

IUPAC(6-hydroxy-7-methoxyisoquinolin-1-yl)-phenylmethanone
SMILESCOc1cc2c(C(=O)c3ccccc3)nccc2cc1O
InChIInChI=1S/C17H13NO3/c1-21-15-10-13-12(9-14(15)19)7-8-18-16(13)17(20)11-5-3-2-4-6-11/h2-10,19H,1H3
InChIKeyHFEKDWBNBILKAJ-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.18
Rot. Bonds3

About (6-hydroxy-7-methoxyisoquinolin-1-yl)-phenylmethanone

(6-hydroxy-7-methoxyisoquinolin-1-yl)-phenylmethanone (PubChem CID 135470361) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is (6-hydroxy-7-methoxyisoquinolin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-hydroxy-7-methoxyisoquinolin-1-yl)-phenylmethanone
PubChem CID135470361
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name(6-hydroxy-7-methoxyisoquinolin-1-yl)-phenylmethanone
SMILESCOc1cc2c(C(=O)c3ccccc3)nccc2cc1O
InChIInChI=1S/C17H13NO3/c1-21-15-10-13-12(9-14(15)19)7-8-18-16(13)17(20)11-5-3-2-4-6-11/h2-10,19H,1H3
InChIKeyHFEKDWBNBILKAJ-UHFFFAOYSA-N
XLogP3.18
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-7-methoxyisoquinolin-1-yl)-phenylmethanone?
The IUPAC name of (6-hydroxy-7-methoxyisoquinolin-1-yl)-phenylmethanone (CID 135470361) is (6-hydroxy-7-methoxyisoquinolin-1-yl)-phenylmethanone.
What is the SMILES notation for (6-hydroxy-7-methoxyisoquinolin-1-yl)-phenylmethanone?
The canonical SMILES for (6-hydroxy-7-methoxyisoquinolin-1-yl)-phenylmethanone is COc1cc2c(C(=O)c3ccccc3)nccc2cc1O.
What is the InChIKey of (6-hydroxy-7-methoxyisoquinolin-1-yl)-phenylmethanone?
The InChIKey is HFEKDWBNBILKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-21-15-10-13-12(9-14(15)19)7-8-18-16(13)17(20)11-5-3-2-4-6-11/h2-10,19H,1H3.
What are the key properties of (6-hydroxy-7-methoxyisoquinolin-1-yl)-phenylmethanone?
(6-hydroxy-7-methoxyisoquinolin-1-yl)-phenylmethanone has a molecular weight of 279.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-7-methoxyisoquinolin-1-yl)-phenylmethanone is sourced from PubChem (CID 135470361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).