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

C22H24N4O2 — CID 137303622

IUPAC2-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
SMILESCN1CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)C(c2ccccc2)C1
InChIInChI=1S/C22H24N4O2/c1-25-13-14-26(19(15-25)16-7-3-2-4-8-16)21(27)12-11-20-23-18-10-6-5-9-17(18)22(28)24-20/h2-10,19H,11-15H2,1H3,(H,23,24,28)
InChIKeyWZHKWEGOIJOEHO-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.37
Rot. Bonds4

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

2-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one (PubChem CID 137303622) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
PubChem CID137303622
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
SMILESCN1CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)C(c2ccccc2)C1
InChIInChI=1S/C22H24N4O2/c1-25-13-14-26(19(15-25)16-7-3-2-4-8-16)21(27)12-11-20-23-18-10-6-5-9-17(18)22(28)24-20/h2-10,19H,11-15H2,1H3,(H,23,24,28)
InChIKeyWZHKWEGOIJOEHO-UHFFFAOYSA-N
XLogP2.37
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-methyl-4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]piperazine-1-carboxylate
CID 137291097
4-methyl-5-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-oxopropyl]-2-phenyl-1H-pyrimidin-6-one
CID 135890605
3-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 46458637
2-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]-3H-quinazolin-4-one
CID 135922620
2-[3-(7-methylsulfanyl-1,4-diazepan-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
CID 142398190
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 94599269
4-(1,3-benzothiazol-2-yl)-1-(4-methyl-2-phenylpiperazin-1-yl)butan-1-one
CID 42896901
2,4-dimethyl-5-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136870617
1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-4-phenylbutane-1,4-dione
CID 51926961
2-[3-oxo-3-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]-3H-quinazolin-4-one
CID 135910568
(3S)-N-methyl-2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 136813074
2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
CID 135659956

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one (CID 137303622) is 2-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one is CN1CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)C(c2ccccc2)C1.
What is the InChIKey of 2-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one?
The InChIKey is WZHKWEGOIJOEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-25-13-14-26(19(15-25)16-7-3-2-4-8-16)21(27)12-11-20-23-18-10-6-5-9-17(18)22(28)24-20/h2-10,19H,11-15H2,1H3,(H,23,24,28).
What are the key properties of 2-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one?
2-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one has a molecular weight of 376.46 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137303622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).