6-methoxy-3-morpholin-4-yl-2H-isoquinolin-1-one

C14H16N2O3 — CID 22250132

IUPAC6-methoxy-3-morpholin-4-yl-2H-isoquinolin-1-one
SMILESCOc1ccc2c(=O)[nH]c(N3CCOCC3)cc2c1
InChIInChI=1S/C14H16N2O3/c1-18-11-2-3-12-10(8-11)9-13(15-14(12)17)16-4-6-19-7-5-16/h2-3,8-9H,4-7H2,1H3,(H,15,17)
InChIKeyDHFQQMCTPNILCR-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.37
Rot. Bonds2

About 6-methoxy-3-morpholin-4-yl-2H-isoquinolin-1-one

6-methoxy-3-morpholin-4-yl-2H-isoquinolin-1-one (PubChem CID 22250132) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-methoxy-3-morpholin-4-yl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-methoxy-3-morpholin-4-yl-2H-isoquinolin-1-one
PubChem CID22250132
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name6-methoxy-3-morpholin-4-yl-2H-isoquinolin-1-one
SMILESCOc1ccc2c(=O)[nH]c(N3CCOCC3)cc2c1
InChIInChI=1S/C14H16N2O3/c1-18-11-2-3-12-10(8-11)9-13(15-14(12)17)16-4-6-19-7-5-16/h2-3,8-9H,4-7H2,1H3,(H,15,17)
InChIKeyDHFQQMCTPNILCR-UHFFFAOYSA-N
XLogP1.37
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-6-methoxy-2H-isoquinolin-1-one
CID 12608911
4-[(4-methoxyphenyl)-morpholin-4-ylmethyl]morpholine
CID 609793
6-methoxy-3-pentyl-2H-isoquinolin-1-one
CID 67872483
(6-methoxy-3-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 113205390
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde
CID 87349603
6-(4-methoxyphenyl)-2-morpholin-4-ylchromen-4-one
CID 11522901
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
3-(4-methoxyphenyl)-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 110556352
7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
CID 51998270
(E)-1-(6-methoxynaphthalen-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 7947303
7-[(2,4-dimethoxyphenyl)methyl]-2-morpholin-4-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136735468

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-morpholin-4-yl-2H-isoquinolin-1-one?
The IUPAC name of 6-methoxy-3-morpholin-4-yl-2H-isoquinolin-1-one (CID 22250132) is 6-methoxy-3-morpholin-4-yl-2H-isoquinolin-1-one.
What is the SMILES notation for 6-methoxy-3-morpholin-4-yl-2H-isoquinolin-1-one?
The canonical SMILES for 6-methoxy-3-morpholin-4-yl-2H-isoquinolin-1-one is COc1ccc2c(=O)[nH]c(N3CCOCC3)cc2c1.
What is the InChIKey of 6-methoxy-3-morpholin-4-yl-2H-isoquinolin-1-one?
The InChIKey is DHFQQMCTPNILCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-11-2-3-12-10(8-11)9-13(15-14(12)17)16-4-6-19-7-5-16/h2-3,8-9H,4-7H2,1H3,(H,15,17).
What are the key properties of 6-methoxy-3-morpholin-4-yl-2H-isoquinolin-1-one?
6-methoxy-3-morpholin-4-yl-2H-isoquinolin-1-one has a molecular weight of 260.29 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-morpholin-4-yl-2H-isoquinolin-1-one is sourced from PubChem (CID 22250132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).