7-methoxy-4-(4-methylphenyl)-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]phthalazin-1-amine

C32H32N4O — CID 69210826

IUPAC7-methoxy-4-(4-methylphenyl)-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]phthalazin-1-amine
SMILESCOc1ccc2c(-c3ccc(C)cc3)nnc(NC3CCN(Cc4ccc5ccccc5c4)CC3)c2c1
InChIInChI=1S/C32H32N4O/c1-22-7-10-25(11-8-22)31-29-14-13-28(37-2)20-30(29)32(35-34-31)33-27-15-17-36(18-16-27)21-23-9-12-24-5-3-4-6-26(24)19-23/h3-14,19-20,27H,15-18,21H2,1-2H3,(H,33,35)
InChIKeyHTWOTWTVQXFNRI-UHFFFAOYSA-N
MW488.64 g/mol
LogP6.84
Rot. Bonds6

About 7-methoxy-4-(4-methylphenyl)-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]phthalazin-1-amine

7-methoxy-4-(4-methylphenyl)-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]phthalazin-1-amine (PubChem CID 69210826) has the molecular formula C32H32N4O and a molecular weight of 488.64 g/mol. Its IUPAC name is 7-methoxy-4-(4-methylphenyl)-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]phthalazin-1-amine.

Molecular Properties

Compound Name7-methoxy-4-(4-methylphenyl)-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]phthalazin-1-amine
PubChem CID69210826
Molecular FormulaC32H32N4O
Molecular Weight488.64 g/mol
Exact Mass488.26
IUPAC Name7-methoxy-4-(4-methylphenyl)-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]phthalazin-1-amine
SMILESCOc1ccc2c(-c3ccc(C)cc3)nnc(NC3CCN(Cc4ccc5ccccc5c4)CC3)c2c1
InChIInChI=1S/C32H32N4O/c1-22-7-10-25(11-8-22)31-29-14-13-28(37-2)20-30(29)32(35-34-31)33-27-15-17-36(18-16-27)21-23-9-12-24-5-3-4-6-26(24)19-23/h3-14,19-20,27H,15-18,21H2,1-2H3,(H,33,35)
InChIKeyHTWOTWTVQXFNRI-UHFFFAOYSA-N
XLogP6.84
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.64
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(4-methylphenyl)-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]phthalazin-1-amine?
The IUPAC name of 7-methoxy-4-(4-methylphenyl)-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]phthalazin-1-amine (CID 69210826) is 7-methoxy-4-(4-methylphenyl)-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]phthalazin-1-amine.
What is the SMILES notation for 7-methoxy-4-(4-methylphenyl)-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]phthalazin-1-amine?
The canonical SMILES for 7-methoxy-4-(4-methylphenyl)-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]phthalazin-1-amine is COc1ccc2c(-c3ccc(C)cc3)nnc(NC3CCN(Cc4ccc5ccccc5c4)CC3)c2c1.
What is the InChIKey of 7-methoxy-4-(4-methylphenyl)-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]phthalazin-1-amine?
The InChIKey is HTWOTWTVQXFNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O/c1-22-7-10-25(11-8-22)31-29-14-13-28(37-2)20-30(29)32(35-34-31)33-27-15-17-36(18-16-27)21-23-9-12-24-5-3-4-6-26(24)19-23/h3-14,19-20,27H,15-18,21H2,1-2H3,(H,33,35).
What are the key properties of 7-methoxy-4-(4-methylphenyl)-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]phthalazin-1-amine?
7-methoxy-4-(4-methylphenyl)-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]phthalazin-1-amine has a molecular weight of 488.64 g/mol, XLogP of 6.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(4-methylphenyl)-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]phthalazin-1-amine is sourced from PubChem (CID 69210826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).