N-(4-chlorophenyl)-8-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine

C21H17ClN4 — CID 102369950

IUPACN-(4-chlorophenyl)-8-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine
SMILESCc1cccc2c(Cc3ccncc3)nnc(Nc3ccc(Cl)cc3)c12
InChIInChI=1S/C21H17ClN4/c1-14-3-2-4-18-19(13-15-9-11-23-12-10-15)25-26-21(20(14)18)24-17-7-5-16(22)6-8-17/h2-12H,13H2,1H3,(H,24,26)
InChIKeyBEIYHKMIUMZWQG-UHFFFAOYSA-N
MW360.85 g/mol
LogP5.32
Rot. Bonds4

About N-(4-chlorophenyl)-8-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine

N-(4-chlorophenyl)-8-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine (PubChem CID 102369950) has the molecular formula C21H17ClN4 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-8-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-8-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine
PubChem CID102369950
Molecular FormulaC21H17ClN4
Molecular Weight360.85 g/mol
Exact Mass360.11
IUPAC NameN-(4-chlorophenyl)-8-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine
SMILESCc1cccc2c(Cc3ccncc3)nnc(Nc3ccc(Cl)cc3)c12
InChIInChI=1S/C21H17ClN4/c1-14-3-2-4-18-19(13-15-9-11-23-12-10-15)25-26-21(20(14)18)24-17-7-5-16(22)6-8-17/h2-12H,13H2,1H3,(H,24,26)
InChIKeyBEIYHKMIUMZWQG-UHFFFAOYSA-N
XLogP5.32
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.85
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methane
CID 159919598
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;methanesulfonic acid
CID 71584923
N-[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide
CID 22741999
1-N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazine-1,7-diamine
CID 6419378
1-N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazine-1,7-diamine;hydrochloride
CID 22741956
N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;ethane
CID 91595451
azanium;N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;pentanedioic acid
CID 15604672
N-[4-[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]phenyl]acetamide
CID 22741957
N-[(4-chlorophenyl)methyl]-4-[(2-methyl-4-pyridinyl)methyl]phthalazin-1-amine
CID 22386452
N-(4-chlorophenyl)-2,6-dimethylaniline
CID 10977319
N-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
CID 53298155
N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine
CID 1386625

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-8-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The IUPAC name of N-(4-chlorophenyl)-8-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine (CID 102369950) is N-(4-chlorophenyl)-8-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine.
What is the SMILES notation for N-(4-chlorophenyl)-8-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The canonical SMILES for N-(4-chlorophenyl)-8-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine is Cc1cccc2c(Cc3ccncc3)nnc(Nc3ccc(Cl)cc3)c12.
What is the InChIKey of N-(4-chlorophenyl)-8-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The InChIKey is BEIYHKMIUMZWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4/c1-14-3-2-4-18-19(13-15-9-11-23-12-10-15)25-26-21(20(14)18)24-17-7-5-16(22)6-8-17/h2-12H,13H2,1H3,(H,24,26).
What are the key properties of N-(4-chlorophenyl)-8-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
N-(4-chlorophenyl)-8-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine has a molecular weight of 360.85 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-8-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine is sourced from PubChem (CID 102369950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).