2-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one

C15H20N4O — CID 137078251

IUPAC2-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one
SMILESC[C@@H]1CNCCN1CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H20N4O/c1-11-10-16-7-9-19(11)8-6-14-17-13-5-3-2-4-12(13)15(20)18-14/h2-5,11,16H,6-10H2,1H3,(H,17,18,20)/t11-/m1/s1
InChIKeyBBLMLAHVWZKEGN-LLVKDONJSA-N
MW272.35 g/mol
LogP0.76
Rot. Bonds3

About 2-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one

2-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one (PubChem CID 137078251) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one
PubChem CID137078251
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one
SMILESC[C@@H]1CNCCN1CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H20N4O/c1-11-10-16-7-9-19(11)8-6-14-17-13-5-3-2-4-12(13)15(20)18-14/h2-5,11,16H,6-10H2,1H3,(H,17,18,20)/t11-/m1/s1
InChIKeyBBLMLAHVWZKEGN-LLVKDONJSA-N
XLogP0.76
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[(2R)-2-methylpiperazin-1-yl]-3-oxopropyl]sulfanylmethyl]-3H-quinazolin-4-one;hydrochloride
CID 137127749
2-[[3-(2-methylpiperazin-1-yl)-3-oxopropyl]sulfanylmethyl]-3H-quinazolin-4-one;hydrochloride
CID 137146533
2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136733737
2-[[(2S)-2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 137174071
2-[[2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 137127767
2-[2-[3-(methylamino)piperidin-1-yl]ethyl]-3H-quinazolin-4-one;hydrochloride
CID 137136922
2-[(2-methylpiperazin-1-yl)methyl]quinazolin-4-amine
CID 62671549
2-[[(2R)-2-methylpiperazin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride
CID 137078252
2-[3-(7-methylsulfanyl-1,4-diazepan-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
CID 142398190
2-[2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136727620
2-[2-[4-(4-hydroxybenzoyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136513777
2-[2-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3H-quinazolin-4-one
CID 136577881

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one (CID 137078251) is 2-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one is C[C@@H]1CNCCN1CCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one?
The InChIKey is BBLMLAHVWZKEGN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-10-16-7-9-19(11)8-6-14-17-13-5-3-2-4-12(13)15(20)18-14/h2-5,11,16H,6-10H2,1H3,(H,17,18,20)/t11-/m1/s1.
What are the key properties of 2-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one?
2-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one has a molecular weight of 272.35 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-2-methylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137078251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).