2-[(4-phenylpiperazin-1-yl)methyl]-3H-quinazolin-4-one

C19H20N4O — CID 135399488

IUPAC2-[(4-phenylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CN2CCN(c3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C19H20N4O/c24-19-16-8-4-5-9-17(16)20-18(21-19)14-22-10-12-23(13-11-22)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,21,24)
InChIKeyBDTMVYOHGOZGCN-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.25
Rot. Bonds3

About 2-[(4-phenylpiperazin-1-yl)methyl]-3H-quinazolin-4-one

2-[(4-phenylpiperazin-1-yl)methyl]-3H-quinazolin-4-one (PubChem CID 135399488) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[(4-phenylpiperazin-1-yl)methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(4-phenylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
PubChem CID135399488
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[(4-phenylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CN2CCN(c3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C19H20N4O/c24-19-16-8-4-5-9-17(16)20-18(21-19)14-22-10-12-23(13-11-22)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,21,24)
InChIKeyBDTMVYOHGOZGCN-UHFFFAOYSA-N
XLogP2.25
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylpiperazin-1-yl)methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(4-phenylpiperazin-1-yl)methyl]-3H-quinazolin-4-one (CID 135399488) is 2-[(4-phenylpiperazin-1-yl)methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(4-phenylpiperazin-1-yl)methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(4-phenylpiperazin-1-yl)methyl]-3H-quinazolin-4-one is O=c1[nH]c(CN2CCN(c3ccccc3)CC2)nc2ccccc12.
What is the InChIKey of 2-[(4-phenylpiperazin-1-yl)methyl]-3H-quinazolin-4-one?
The InChIKey is BDTMVYOHGOZGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-19-16-8-4-5-9-17(16)20-18(21-19)14-22-10-12-23(13-11-22)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,21,24).
What are the key properties of 2-[(4-phenylpiperazin-1-yl)methyl]-3H-quinazolin-4-one?
2-[(4-phenylpiperazin-1-yl)methyl]-3H-quinazolin-4-one has a molecular weight of 320.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylpiperazin-1-yl)methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135399488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).