7-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-4-ethoxyphthalazin-1-amine

C18H17Cl2N3O2 — CID 22004351

IUPAC7-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-4-ethoxyphthalazin-1-amine
SMILESCCOc1nnc(NCc2ccc(OC)c(Cl)c2)c2cc(Cl)ccc12
InChIInChI=1S/C18H17Cl2N3O2/c1-3-25-18-13-6-5-12(19)9-14(13)17(22-23-18)21-10-11-4-7-16(24-2)15(20)8-11/h4-9H,3,10H2,1-2H3,(H,21,22)
InChIKeyCGCANYSDTNESSG-UHFFFAOYSA-N
MW378.26 g/mol
LogP4.96
Rot. Bonds6

About 7-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-4-ethoxyphthalazin-1-amine

7-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-4-ethoxyphthalazin-1-amine (PubChem CID 22004351) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is 7-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-4-ethoxyphthalazin-1-amine.

Molecular Properties

Compound Name7-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-4-ethoxyphthalazin-1-amine
PubChem CID22004351
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC Name7-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-4-ethoxyphthalazin-1-amine
SMILESCCOc1nnc(NCc2ccc(OC)c(Cl)c2)c2cc(Cl)ccc12
InChIInChI=1S/C18H17Cl2N3O2/c1-3-25-18-13-6-5-12(19)9-14(13)17(22-23-18)21-10-11-4-7-16(24-2)15(20)8-11/h4-9H,3,10H2,1-2H3,(H,21,22)
InChIKeyCGCANYSDTNESSG-UHFFFAOYSA-N
XLogP4.96
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)phthalazin-1-amine
CID 20646856
5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline
CID 65022123
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-6-isocyanophthalazin-1-amine
CID 20646843
ethyl 6-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]quinazoline-2-carboxylate
CID 18796701
3-[[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanophthalazin-1-yl]amino]propan-1-ol
CID 20646836
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-iodoaniline
CID 107632263
N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyano-4-phenylphthalazin-1-amine;hydrochloride
CID 161319791
N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyano-4-(4-methoxyphenyl)phthalazin-1-amine;hydrochloride
CID 157476890
4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-oxo-1-pyridinyl)phthalazine-6-carbonitrile
CID 22004398
5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline
CID 106816634
4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol
CID 28514732
N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyano-4-(4-pyrimidin-2-ylpiperazin-1-yl)phthalazin-1-amine
CID 20646862

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-4-ethoxyphthalazin-1-amine?
The IUPAC name of 7-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-4-ethoxyphthalazin-1-amine (CID 22004351) is 7-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-4-ethoxyphthalazin-1-amine.
What is the SMILES notation for 7-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-4-ethoxyphthalazin-1-amine?
The canonical SMILES for 7-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-4-ethoxyphthalazin-1-amine is CCOc1nnc(NCc2ccc(OC)c(Cl)c2)c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-4-ethoxyphthalazin-1-amine?
The InChIKey is CGCANYSDTNESSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c1-3-25-18-13-6-5-12(19)9-14(13)17(22-23-18)21-10-11-4-7-16(24-2)15(20)8-11/h4-9H,3,10H2,1-2H3,(H,21,22).
What are the key properties of 7-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-4-ethoxyphthalazin-1-amine?
7-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-4-ethoxyphthalazin-1-amine has a molecular weight of 378.26 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-4-ethoxyphthalazin-1-amine is sourced from PubChem (CID 22004351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).