3-[(2S)-2-methylpiperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride

C16H18ClN5O2 — CID 137127774

IUPAC3-[(2S)-2-methylpiperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride
SMILESC[C@H]1CNCCN1C(=O)c1cnn2c1[nH]c(=O)c1ccccc12.Cl
InChIInChI=1S/C16H17N5O2.ClH/c1-10-8-17-6-7-20(10)16(23)12-9-18-21-13-5-3-2-4-11(13)15(22)19-14(12)21;/h2-5,9-10,17H,6-8H2,1H3,(H,19,22);1H/t10-;/m0./s1
InChIKeyMBOZAWQAFOIGMH-PPHPATTJSA-N
MW347.81 g/mol
LogP1.03
Rot. Bonds1

About 3-[(2S)-2-methylpiperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride

3-[(2S)-2-methylpiperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride (PubChem CID 137127774) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is 3-[(2S)-2-methylpiperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride.

Molecular Properties

Compound Name3-[(2S)-2-methylpiperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride
PubChem CID137127774
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name3-[(2S)-2-methylpiperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride
SMILESC[C@H]1CNCCN1C(=O)c1cnn2c1[nH]c(=O)c1ccccc12.Cl
InChIInChI=1S/C16H17N5O2.ClH/c1-10-8-17-6-7-20(10)16(23)12-9-18-21-13-5-3-2-4-11(13)15(22)19-14(12)21;/h2-5,9-10,17H,6-8H2,1H3,(H,19,22);1H/t10-;/m0./s1
InChIKeyMBOZAWQAFOIGMH-PPHPATTJSA-N
XLogP1.03
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(piperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925377
3-(1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135965959
(2-methylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride
CID 119470274
3-(azepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925375
(2S)-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 136942108
5-oxo-N-[(3S)-piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 137127730
(5-methyl-1-phenylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472417
4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 82704916
1-benzofuran-3-yl-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705753
3-(imidazole-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925379
3-[3-(aminomethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925381
1-benzothiophen-3-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471975

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-methylpiperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride?
The IUPAC name of 3-[(2S)-2-methylpiperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride (CID 137127774) is 3-[(2S)-2-methylpiperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride.
What is the SMILES notation for 3-[(2S)-2-methylpiperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride?
The canonical SMILES for 3-[(2S)-2-methylpiperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride is C[C@H]1CNCCN1C(=O)c1cnn2c1[nH]c(=O)c1ccccc12.Cl.
What is the InChIKey of 3-[(2S)-2-methylpiperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride?
The InChIKey is MBOZAWQAFOIGMH-PPHPATTJSA-N. The full InChI is InChI=1S/C16H17N5O2.ClH/c1-10-8-17-6-7-20(10)16(23)12-9-18-21-13-5-3-2-4-11(13)15(22)19-14(12)21;/h2-5,9-10,17H,6-8H2,1H3,(H,19,22);1H/t10-;/m0./s1.
What are the key properties of 3-[(2S)-2-methylpiperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride?
3-[(2S)-2-methylpiperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride has a molecular weight of 347.81 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-methylpiperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride is sourced from PubChem (CID 137127774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).