2-methyl-4-[5-(4-phenylpiperazin-1-yl)pentoxy]quinazoline

C24H30N4O — CID 134131283

IUPAC2-methyl-4-[5-(4-phenylpiperazin-1-yl)pentoxy]quinazoline
SMILESCc1nc(OCCCCCN2CCN(c3ccccc3)CC2)c2ccccc2n1
InChIInChI=1S/C24H30N4O/c1-20-25-23-13-7-6-12-22(23)24(26-20)29-19-9-3-8-14-27-15-17-28(18-16-27)21-10-4-2-5-11-21/h2,4-7,10-13H,3,8-9,14-19H2,1H3
InChIKeyVHSHFMLUPGDBON-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.31
Rot. Bonds8

About 2-methyl-4-[5-(4-phenylpiperazin-1-yl)pentoxy]quinazoline

2-methyl-4-[5-(4-phenylpiperazin-1-yl)pentoxy]quinazoline (PubChem CID 134131283) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-methyl-4-[5-(4-phenylpiperazin-1-yl)pentoxy]quinazoline.

Molecular Properties

Compound Name2-methyl-4-[5-(4-phenylpiperazin-1-yl)pentoxy]quinazoline
PubChem CID134131283
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name2-methyl-4-[5-(4-phenylpiperazin-1-yl)pentoxy]quinazoline
SMILESCc1nc(OCCCCCN2CCN(c3ccccc3)CC2)c2ccccc2n1
InChIInChI=1S/C24H30N4O/c1-20-25-23-13-7-6-12-22(23)24(26-20)29-19-9-3-8-14-27-15-17-28(18-16-27)21-10-4-2-5-11-21/h2,4-7,10-13H,3,8-9,14-19H2,1H3
InChIKeyVHSHFMLUPGDBON-UHFFFAOYSA-N
XLogP4.31
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[5-(4-phenylpiperazin-1-yl)pentoxy]quinazoline?
The IUPAC name of 2-methyl-4-[5-(4-phenylpiperazin-1-yl)pentoxy]quinazoline (CID 134131283) is 2-methyl-4-[5-(4-phenylpiperazin-1-yl)pentoxy]quinazoline.
What is the SMILES notation for 2-methyl-4-[5-(4-phenylpiperazin-1-yl)pentoxy]quinazoline?
The canonical SMILES for 2-methyl-4-[5-(4-phenylpiperazin-1-yl)pentoxy]quinazoline is Cc1nc(OCCCCCN2CCN(c3ccccc3)CC2)c2ccccc2n1.
What is the InChIKey of 2-methyl-4-[5-(4-phenylpiperazin-1-yl)pentoxy]quinazoline?
The InChIKey is VHSHFMLUPGDBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-20-25-23-13-7-6-12-22(23)24(26-20)29-19-9-3-8-14-27-15-17-28(18-16-27)21-10-4-2-5-11-21/h2,4-7,10-13H,3,8-9,14-19H2,1H3.
What are the key properties of 2-methyl-4-[5-(4-phenylpiperazin-1-yl)pentoxy]quinazoline?
2-methyl-4-[5-(4-phenylpiperazin-1-yl)pentoxy]quinazoline has a molecular weight of 390.53 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[5-(4-phenylpiperazin-1-yl)pentoxy]quinazoline is sourced from PubChem (CID 134131283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).