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

C21H17ClN4 — CID 6326413

IUPACN-(4-chlorophenyl)-N-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine
SMILESCN(c1ccc(Cl)cc1)c1nnc(Cc2ccncc2)c2ccccc12
InChIInChI=1S/C21H17ClN4/c1-26(17-8-6-16(22)7-9-17)21-19-5-3-2-4-18(19)20(24-25-21)14-15-10-12-23-13-11-15/h2-13H,14H2,1H3
InChIKeyOZGCCTRTFRHDJM-UHFFFAOYSA-N
MW360.85 g/mol
LogP5.04
Rot. Bonds4

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

N-(4-chlorophenyl)-N-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine (PubChem CID 6326413) has the molecular formula C21H17ClN4 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine
PubChem CID6326413
Molecular FormulaC21H17ClN4
Molecular Weight360.85 g/mol
Exact Mass360.11
IUPAC NameN-(4-chlorophenyl)-N-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine
SMILESCN(c1ccc(Cl)cc1)c1nnc(Cc2ccncc2)c2ccccc12
InChIInChI=1S/C21H17ClN4/c1-26(17-8-6-16(22)7-9-17)21-19-5-3-2-4-18(19)20(24-25-21)14-15-10-12-23-13-11-15/h2-13H,14H2,1H3
InChIKeyOZGCCTRTFRHDJM-UHFFFAOYSA-N
XLogP5.04
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.85
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The IUPAC name of N-(4-chlorophenyl)-N-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine (CID 6326413) is N-(4-chlorophenyl)-N-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine.
What is the SMILES notation for N-(4-chlorophenyl)-N-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The canonical SMILES for N-(4-chlorophenyl)-N-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine is CN(c1ccc(Cl)cc1)c1nnc(Cc2ccncc2)c2ccccc12.
What is the InChIKey of N-(4-chlorophenyl)-N-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The InChIKey is OZGCCTRTFRHDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4/c1-26(17-8-6-16(22)7-9-17)21-19-5-3-2-4-18(19)20(24-25-21)14-15-10-12-23-13-11-15/h2-13H,14H2,1H3.
What are the key properties of N-(4-chlorophenyl)-N-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
N-(4-chlorophenyl)-N-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine has a molecular weight of 360.85 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-methyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine is sourced from PubChem (CID 6326413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).