1-(8-methoxy-7-propan-2-ylisoquinolin-4-yl)-1,3-diazinane-2,4-dione

C17H19N3O3 — CID 164567682

IUPAC1-(8-methoxy-7-propan-2-ylisoquinolin-4-yl)-1,3-diazinane-2,4-dione
SMILESCOc1c(C(C)C)ccc2c(N3CCC(=O)NC3=O)cncc12
InChIInChI=1S/C17H19N3O3/c1-10(2)11-4-5-12-13(16(11)23-3)8-18-9-14(12)20-7-6-15(21)19-17(20)22/h4-5,8-10H,6-7H2,1-3H3,(H,19,21,22)
InChIKeyCPDIRRGZNCRBBX-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.81
Rot. Bonds3

About 1-(8-methoxy-7-propan-2-ylisoquinolin-4-yl)-1,3-diazinane-2,4-dione

1-(8-methoxy-7-propan-2-ylisoquinolin-4-yl)-1,3-diazinane-2,4-dione (PubChem CID 164567682) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-(8-methoxy-7-propan-2-ylisoquinolin-4-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(8-methoxy-7-propan-2-ylisoquinolin-4-yl)-1,3-diazinane-2,4-dione
PubChem CID164567682
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-(8-methoxy-7-propan-2-ylisoquinolin-4-yl)-1,3-diazinane-2,4-dione
SMILESCOc1c(C(C)C)ccc2c(N3CCC(=O)NC3=O)cncc12
InChIInChI=1S/C17H19N3O3/c1-10(2)11-4-5-12-13(16(11)23-3)8-18-9-14(12)20-7-6-15(21)19-17(20)22/h4-5,8-10H,6-7H2,1-3H3,(H,19,21,22)
InChIKeyCPDIRRGZNCRBBX-UHFFFAOYSA-N
XLogP2.81
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(8-methoxy-7-propan-2-ylisoquinolin-4-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(8-methoxy-7-propan-2-ylisoquinolin-4-yl)-1,3-diazinane-2,4-dione (CID 164567682) is 1-(8-methoxy-7-propan-2-ylisoquinolin-4-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(8-methoxy-7-propan-2-ylisoquinolin-4-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(8-methoxy-7-propan-2-ylisoquinolin-4-yl)-1,3-diazinane-2,4-dione is COc1c(C(C)C)ccc2c(N3CCC(=O)NC3=O)cncc12.
What is the InChIKey of 1-(8-methoxy-7-propan-2-ylisoquinolin-4-yl)-1,3-diazinane-2,4-dione?
The InChIKey is CPDIRRGZNCRBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-10(2)11-4-5-12-13(16(11)23-3)8-18-9-14(12)20-7-6-15(21)19-17(20)22/h4-5,8-10H,6-7H2,1-3H3,(H,19,21,22).
What are the key properties of 1-(8-methoxy-7-propan-2-ylisoquinolin-4-yl)-1,3-diazinane-2,4-dione?
1-(8-methoxy-7-propan-2-ylisoquinolin-4-yl)-1,3-diazinane-2,4-dione has a molecular weight of 313.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methoxy-7-propan-2-ylisoquinolin-4-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 164567682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).