2-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C19H24N4O2 — CID 135417609

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCOc1ccc(N2CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)cc1
InChIInChI=1S/C19H24N4O2/c1-25-15-8-6-14(7-9-15)22-10-12-23(13-11-22)19-20-17-5-3-2-4-16(17)18(24)21-19/h6-9H,2-5,10-13H2,1H3,(H,20,21,24)
InChIKeyNQWCDPUWUGDETK-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.98
Rot. Bonds3

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135417609) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135417609
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCOc1ccc(N2CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)cc1
InChIInChI=1S/C19H24N4O2/c1-25-15-8-6-14(7-9-15)22-10-12-23(13-11-22)19-20-17-5-3-2-4-16(17)18(24)21-19/h6-9H,2-5,10-13H2,1H3,(H,20,21,24)
InChIKeyNQWCDPUWUGDETK-UHFFFAOYSA-N
XLogP1.98
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135417609) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is COc1ccc(N2CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is NQWCDPUWUGDETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-15-8-6-14(7-9-15)22-10-12-23(13-11-22)19-20-17-5-3-2-4-16(17)18(24)21-19/h6-9H,2-5,10-13H2,1H3,(H,20,21,24).
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 340.43 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135417609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).