N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine

C34H36N6 — CID 155515610

IUPACN-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine
SMILESc1ccc(N2CCN(c3nc(NC4CCN(Cc5ccc6ccccc6c5)CC4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C34H36N6/c1-2-10-30(11-3-1)39-20-22-40(23-21-39)34-36-32-13-7-6-12-31(32)33(37-34)35-29-16-18-38(19-17-29)25-26-14-15-27-8-4-5-9-28(27)24-26/h1-15,24,29H,16-23,25H2,(H,35,36,37)
InChIKeyVQFMNCCAPYSSIG-UHFFFAOYSA-N
MW528.70 g/mol
LogP6.19
Rot. Bonds6

About N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine

N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine (PubChem CID 155515610) has the molecular formula C34H36N6 and a molecular weight of 528.70 g/mol. Its IUPAC name is N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine
PubChem CID155515610
Molecular FormulaC34H36N6
Molecular Weight528.70 g/mol
Exact Mass528.30
IUPAC NameN-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine
SMILESc1ccc(N2CCN(c3nc(NC4CCN(Cc5ccc6ccccc6c5)CC4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C34H36N6/c1-2-10-30(11-3-1)39-20-22-40(23-21-39)34-36-32-13-7-6-12-31(32)33(37-34)35-29-16-18-38(19-17-29)25-26-14-15-27-8-4-5-9-28(27)24-26/h1-15,24,29H,16-23,25H2,(H,35,36,37)
InChIKeyVQFMNCCAPYSSIG-UHFFFAOYSA-N
XLogP6.19
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.70
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine?
The IUPAC name of N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine (CID 155515610) is N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine.
What is the SMILES notation for N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine?
The canonical SMILES for N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine is c1ccc(N2CCN(c3nc(NC4CCN(Cc5ccc6ccccc6c5)CC4)c4ccccc4n3)CC2)cc1.
What is the InChIKey of N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine?
The InChIKey is VQFMNCCAPYSSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N6/c1-2-10-30(11-3-1)39-20-22-40(23-21-39)34-36-32-13-7-6-12-31(32)33(37-34)35-29-16-18-38(19-17-29)25-26-14-15-27-8-4-5-9-28(27)24-26/h1-15,24,29H,16-23,25H2,(H,35,36,37).
What are the key properties of N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine?
N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine has a molecular weight of 528.70 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 155515610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).