1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpyrrolidin-3-amine

C19H19ClN4 — CID 134471668

IUPAC1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)C1
InChIInChI=1S/C19H19ClN4/c1-21-15-10-11-24(12-15)19-17-5-3-2-4-16(17)18(22-23-19)13-6-8-14(20)9-7-13/h2-9,15,21H,10-12H2,1H3
InChIKeyXJANHRITWSCQNE-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.75
Rot. Bonds3

About 1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpyrrolidin-3-amine

1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpyrrolidin-3-amine (PubChem CID 134471668) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpyrrolidin-3-amine
PubChem CID134471668
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)C1
InChIInChI=1S/C19H19ClN4/c1-21-15-10-11-24(12-15)19-17-5-3-2-4-16(17)18(22-23-19)13-6-8-14(20)9-7-13/h2-9,15,21H,10-12H2,1H3
InChIKeyXJANHRITWSCQNE-UHFFFAOYSA-N
XLogP3.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpyrrolidin-3-amine (CID 134471668) is 1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpyrrolidin-3-amine is CNC1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)C1.
What is the InChIKey of 1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpyrrolidin-3-amine?
The InChIKey is XJANHRITWSCQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-21-15-10-11-24(12-15)19-17-5-3-2-4-16(17)18(22-23-19)13-6-8-14(20)9-7-13/h2-9,15,21H,10-12H2,1H3.
What are the key properties of 1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpyrrolidin-3-amine?
1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpyrrolidin-3-amine has a molecular weight of 338.84 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 134471668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).