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

C16H22N4O — CID 135802761

IUPAC2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
SMILESCCCN1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C16H22N4O/c1-2-7-19-8-10-20(11-9-19)12-15-17-14-6-4-3-5-13(14)16(21)18-15/h3-6H,2,7-12H2,1H3,(H,17,18,21)
InChIKeyXTXJLVBDAAVWGE-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.45
Rot. Bonds4

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

2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one (PubChem CID 135802761) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
PubChem CID135802761
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
SMILESCCCN1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C16H22N4O/c1-2-7-19-8-10-20(11-9-19)12-15-17-14-6-4-3-5-13(14)16(21)18-15/h3-6H,2,7-12H2,1H3,(H,17,18,21)
InChIKeyXTXJLVBDAAVWGE-UHFFFAOYSA-N
XLogP1.45
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
2-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 136868764
2-(piperidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135420435
2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135930616
2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
CID 135620645
2-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135809530
2-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136968778
2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135429215
2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135875147
2-[[4-(6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135963619
2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3H-quinazolin-4-one
CID 135830517
2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135480830

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one (CID 135802761) is 2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one is CCCN1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of 2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one?
The InChIKey is XTXJLVBDAAVWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-7-19-8-10-20(11-9-19)12-15-17-14-6-4-3-5-13(14)16(21)18-15/h3-6H,2,7-12H2,1H3,(H,17,18,21).
What are the key properties of 2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one?
2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one has a molecular weight of 286.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135802761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).