4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridazin-3-one

C15H16ClN3O2 — CID 133450517

IUPAC4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridazin-3-one
SMILESCOc1cccc2c1CCN(c1cnn(C)c(=O)c1Cl)C2
InChIInChI=1S/C15H16ClN3O2/c1-18-15(20)14(16)12(8-17-18)19-7-6-11-10(9-19)4-3-5-13(11)21-2/h3-5,8H,6-7,9H2,1-2H3
InChIKeyJAGOJCUHFROKLE-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.01
Rot. Bonds2

About 4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridazin-3-one

4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridazin-3-one (PubChem CID 133450517) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridazin-3-one
PubChem CID133450517
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridazin-3-one
SMILESCOc1cccc2c1CCN(c1cnn(C)c(=O)c1Cl)C2
InChIInChI=1S/C15H16ClN3O2/c1-18-15(20)14(16)12(8-17-18)19-7-6-11-10(9-19)4-3-5-13(11)21-2/h3-5,8H,6-7,9H2,1-2H3
InChIKeyJAGOJCUHFROKLE-UHFFFAOYSA-N
XLogP2.01
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridazin-3-one (CID 133450517) is 4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridazin-3-one is COc1cccc2c1CCN(c1cnn(C)c(=O)c1Cl)C2.
What is the InChIKey of 4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridazin-3-one?
The InChIKey is JAGOJCUHFROKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-18-15(20)14(16)12(8-17-18)19-7-6-11-10(9-19)4-3-5-13(11)21-2/h3-5,8H,6-7,9H2,1-2H3.
What are the key properties of 4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridazin-3-one?
4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridazin-3-one has a molecular weight of 305.77 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridazin-3-one is sourced from PubChem (CID 133450517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).