6-(4-amino-3-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine

C24H23ClN4O2 — CID 162682500

IUPAC6-(4-amino-3-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine
SMILESCOc1ccc(CNc2nnc(C)c3cc(-c4ccc(N)c(Cl)c4)ccc23)c(OC)c1
InChIInChI=1S/C24H23ClN4O2/c1-14-20-10-15(16-6-9-22(26)21(25)11-16)5-8-19(20)24(29-28-14)27-13-17-4-7-18(30-2)12-23(17)31-3/h4-12H,13,26H2,1-3H3,(H,27,29)
InChIKeyLGZALJGZBRGINH-UHFFFAOYSA-N
MW434.93 g/mol
LogP5.47
Rot. Bonds6

About 6-(4-amino-3-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine

6-(4-amino-3-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine (PubChem CID 162682500) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is 6-(4-amino-3-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine.

Molecular Properties

Compound Name6-(4-amino-3-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine
PubChem CID162682500
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC Name6-(4-amino-3-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine
SMILESCOc1ccc(CNc2nnc(C)c3cc(-c4ccc(N)c(Cl)c4)ccc23)c(OC)c1
InChIInChI=1S/C24H23ClN4O2/c1-14-20-10-15(16-6-9-22(26)21(25)11-16)5-8-19(20)24(29-28-14)27-13-17-4-7-18(30-2)12-23(17)31-3/h4-12H,13,26H2,1-3H3,(H,27,29)
InChIKeyLGZALJGZBRGINH-UHFFFAOYSA-N
XLogP5.47
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.93
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-[5-chloro-4-methoxy-2-(trifluoromethyl)phenyl]-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine
CID 162682648
6-[5-chloro-2-(trifluoromethoxy)phenyl]-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine
CID 162682385
6-(5-chloro-1-benzofuran-7-yl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine
CID 162682333
6-(4-chloropyrazol-1-yl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine
CID 162682253
6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine
CID 154666347
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
CID 55189857
2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 87481246
4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine
CID 65342577
5-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3,4-diamine
CID 103518137
4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80829199
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 4719073
N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 60961220

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-3-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine?
The IUPAC name of 6-(4-amino-3-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine (CID 162682500) is 6-(4-amino-3-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine.
What is the SMILES notation for 6-(4-amino-3-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine?
The canonical SMILES for 6-(4-amino-3-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine is COc1ccc(CNc2nnc(C)c3cc(-c4ccc(N)c(Cl)c4)ccc23)c(OC)c1.
What is the InChIKey of 6-(4-amino-3-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine?
The InChIKey is LGZALJGZBRGINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-14-20-10-15(16-6-9-22(26)21(25)11-16)5-8-19(20)24(29-28-14)27-13-17-4-7-18(30-2)12-23(17)31-3/h4-12H,13,26H2,1-3H3,(H,27,29).
What are the key properties of 6-(4-amino-3-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine?
6-(4-amino-3-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine has a molecular weight of 434.93 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-3-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine is sourced from PubChem (CID 162682500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).