4-[(3,5-dichloro-4-pyridinyl)methyl]-2-ethyl-7-methoxyphthalazin-1-one

C17H15Cl2N3O2 — CID 18381676

IUPAC4-[(3,5-dichloro-4-pyridinyl)methyl]-2-ethyl-7-methoxyphthalazin-1-one
SMILESCCn1nc(Cc2c(Cl)cncc2Cl)c2ccc(OC)cc2c1=O
InChIInChI=1S/C17H15Cl2N3O2/c1-3-22-17(23)12-6-10(24-2)4-5-11(12)16(21-22)7-13-14(18)8-20-9-15(13)19/h4-6,8-9H,3,7H2,1-2H3
InChIKeyXAROTUKQIMWWDW-UHFFFAOYSA-N
MW364.23 g/mol
LogP3.72
Rot. Bonds4

About 4-[(3,5-dichloro-4-pyridinyl)methyl]-2-ethyl-7-methoxyphthalazin-1-one

4-[(3,5-dichloro-4-pyridinyl)methyl]-2-ethyl-7-methoxyphthalazin-1-one (PubChem CID 18381676) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is 4-[(3,5-dichloro-4-pyridinyl)methyl]-2-ethyl-7-methoxyphthalazin-1-one.

Molecular Properties

Compound Name4-[(3,5-dichloro-4-pyridinyl)methyl]-2-ethyl-7-methoxyphthalazin-1-one
PubChem CID18381676
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC Name4-[(3,5-dichloro-4-pyridinyl)methyl]-2-ethyl-7-methoxyphthalazin-1-one
SMILESCCn1nc(Cc2c(Cl)cncc2Cl)c2ccc(OC)cc2c1=O
InChIInChI=1S/C17H15Cl2N3O2/c1-3-22-17(23)12-6-10(24-2)4-5-11(12)16(21-22)7-13-14(18)8-20-9-15(13)19/h4-6,8-9H,3,7H2,1-2H3
InChIKeyXAROTUKQIMWWDW-UHFFFAOYSA-N
XLogP3.72
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-1-oxophthalazin-2-yl]acetic acid
CID 18381601
1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-4-(pyrrolidin-1-ylmethyl)phthalazine
CID 18381638
3-[4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxyphthalazin-1-yl]-4-methoxybenzoic acid
CID 11754452
1-(3,5-dichloro-4-pyridinyl)-3-[2-ethyl-6-(3-methoxyphenyl)-3-oxopyridazin-4-yl]urea
CID 67548127
2-ethyl-7-methoxy-4-methylisoquinolin-1-one
CID 115030040
4-benzyl-2-ethylphthalazin-1-one
CID 18336950
2-butyl-4-[(4-methoxyphenyl)methyl]phthalazin-1-one
CID 15959123
4-(aminomethyl)-2-ethylphthalazin-1-one
CID 819195
2-ethyl-4-(hydroxymethyl)-6-(trifluoromethyl)phthalazin-1-one
CID 166874652
1-chloro-4-ethyl-7-methoxyisoquinoline
CID 115063327
2-ethyl-6-methoxyindazole-3-carboxylic acid
CID 84724604
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 105040438

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dichloro-4-pyridinyl)methyl]-2-ethyl-7-methoxyphthalazin-1-one?
The IUPAC name of 4-[(3,5-dichloro-4-pyridinyl)methyl]-2-ethyl-7-methoxyphthalazin-1-one (CID 18381676) is 4-[(3,5-dichloro-4-pyridinyl)methyl]-2-ethyl-7-methoxyphthalazin-1-one.
What is the SMILES notation for 4-[(3,5-dichloro-4-pyridinyl)methyl]-2-ethyl-7-methoxyphthalazin-1-one?
The canonical SMILES for 4-[(3,5-dichloro-4-pyridinyl)methyl]-2-ethyl-7-methoxyphthalazin-1-one is CCn1nc(Cc2c(Cl)cncc2Cl)c2ccc(OC)cc2c1=O.
What is the InChIKey of 4-[(3,5-dichloro-4-pyridinyl)methyl]-2-ethyl-7-methoxyphthalazin-1-one?
The InChIKey is XAROTUKQIMWWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c1-3-22-17(23)12-6-10(24-2)4-5-11(12)16(21-22)7-13-14(18)8-20-9-15(13)19/h4-6,8-9H,3,7H2,1-2H3.
What are the key properties of 4-[(3,5-dichloro-4-pyridinyl)methyl]-2-ethyl-7-methoxyphthalazin-1-one?
4-[(3,5-dichloro-4-pyridinyl)methyl]-2-ethyl-7-methoxyphthalazin-1-one has a molecular weight of 364.23 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dichloro-4-pyridinyl)methyl]-2-ethyl-7-methoxyphthalazin-1-one is sourced from PubChem (CID 18381676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).