2-(3-piperidin-1-ylpropyl)-3H-quinazolin-4-one

C16H21N3O — CID 135508369

IUPAC2-(3-piperidin-1-ylpropyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCCN2CCCCC2)nc2ccccc12
InChIInChI=1S/C16H21N3O/c20-16-13-7-2-3-8-14(13)17-15(18-16)9-6-12-19-10-4-1-5-11-19/h2-3,7-8H,1,4-6,9-12H2,(H,17,18,20)
InChIKeyHDVNQQSSIKDDKS-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.34
Rot. Bonds4

About 2-(3-piperidin-1-ylpropyl)-3H-quinazolin-4-one

2-(3-piperidin-1-ylpropyl)-3H-quinazolin-4-one (PubChem CID 135508369) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylpropyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-piperidin-1-ylpropyl)-3H-quinazolin-4-one
PubChem CID135508369
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(3-piperidin-1-ylpropyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCCN2CCCCC2)nc2ccccc12
InChIInChI=1S/C16H21N3O/c20-16-13-7-2-3-8-14(13)17-15(18-16)9-6-12-19-10-4-1-5-11-19/h2-3,7-8H,1,4-6,9-12H2,(H,17,18,20)
InChIKeyHDVNQQSSIKDDKS-UHFFFAOYSA-N
XLogP2.34
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylpropyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(3-piperidin-1-ylpropyl)-3H-quinazolin-4-one (CID 135508369) is 2-(3-piperidin-1-ylpropyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3-piperidin-1-ylpropyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3-piperidin-1-ylpropyl)-3H-quinazolin-4-one is O=c1[nH]c(CCCN2CCCCC2)nc2ccccc12.
What is the InChIKey of 2-(3-piperidin-1-ylpropyl)-3H-quinazolin-4-one?
The InChIKey is HDVNQQSSIKDDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-16-13-7-2-3-8-14(13)17-15(18-16)9-6-12-19-10-4-1-5-11-19/h2-3,7-8H,1,4-6,9-12H2,(H,17,18,20).
What are the key properties of 2-(3-piperidin-1-ylpropyl)-3H-quinazolin-4-one?
2-(3-piperidin-1-ylpropyl)-3H-quinazolin-4-one has a molecular weight of 271.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylpropyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135508369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).