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

C15H19N3OS — CID 135520446

IUPAC2-(2-piperidin-1-ylethylsulfanyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(SCCN2CCCCC2)nc2ccccc12
InChIInChI=1S/C15H19N3OS/c19-14-12-6-2-3-7-13(12)16-15(17-14)20-11-10-18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-11H2,(H,16,17,19)
InChIKeyQEAAIHDHSHTGMZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.50
Rot. Bonds4

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

2-(2-piperidin-1-ylethylsulfanyl)-3H-quinazolin-4-one (PubChem CID 135520446) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylethylsulfanyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-piperidin-1-ylethylsulfanyl)-3H-quinazolin-4-one
PubChem CID135520446
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(2-piperidin-1-ylethylsulfanyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(SCCN2CCCCC2)nc2ccccc12
InChIInChI=1S/C15H19N3OS/c19-14-12-6-2-3-7-13(12)16-15(17-14)20-11-10-18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-11H2,(H,16,17,19)
InChIKeyQEAAIHDHSHTGMZ-UHFFFAOYSA-N
XLogP2.50
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6H-Pyrimido(2,1-b)quinazolin-6-one, 1,2,3,4-tetrahydro-
CID 209367
4(3H)-Quinazolinone, 3-(phenylmethyl)-
CID 616746
4(1H)-Quinazolinone, 2-(4-methyl-1-piperazinyl)-
CID 135399236
2-Benzylsulfanyl-3-phenylquinazolin-4-one
CID 806148
(4-Hydroxy-quinazolin-2-ylsulfanyl)-acetic acid
CID 135409719
Bis-quinazolinone 5
CID 145996538
Ethyl 2-[3-(cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate
CID 2959700
N-cyclohexyl-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide
CID 135408823
3-Cyclohexyl-2-methylsulfanylquinazolin-4-one
CID 866369
2-(3-Isopropoxy-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-N,N-dimethyl-acetamide
CID 947562
3-Methyl-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
CID 17020007
3-Methyl-2-[(3-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
CID 17020009

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylethylsulfanyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2-piperidin-1-ylethylsulfanyl)-3H-quinazolin-4-one (CID 135520446) is 2-(2-piperidin-1-ylethylsulfanyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-piperidin-1-ylethylsulfanyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-piperidin-1-ylethylsulfanyl)-3H-quinazolin-4-one is O=c1[nH]c(SCCN2CCCCC2)nc2ccccc12.
What is the InChIKey of 2-(2-piperidin-1-ylethylsulfanyl)-3H-quinazolin-4-one?
The InChIKey is QEAAIHDHSHTGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c19-14-12-6-2-3-7-13(12)16-15(17-14)20-11-10-18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-11H2,(H,16,17,19).
What are the key properties of 2-(2-piperidin-1-ylethylsulfanyl)-3H-quinazolin-4-one?
2-(2-piperidin-1-ylethylsulfanyl)-3H-quinazolin-4-one has a molecular weight of 289.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylethylsulfanyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135520446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).