2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-3H-quinazolin-4-one

C17H17N5O3 — CID 137049237

IUPAC2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-3H-quinazolin-4-one
SMILESCc1c(C(=O)N2CCOCC2)cnn1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H17N5O3/c1-11-13(16(24)21-6-8-25-9-7-21)10-18-22(11)17-19-14-5-3-2-4-12(14)15(23)20-17/h2-5,10H,6-9H2,1H3,(H,19,20,23)
InChIKeyMPWQQVMBALQUJV-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.89
Rot. Bonds2

About 2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-3H-quinazolin-4-one

2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-3H-quinazolin-4-one (PubChem CID 137049237) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-3H-quinazolin-4-one
PubChem CID137049237
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-3H-quinazolin-4-one
SMILESCc1c(C(=O)N2CCOCC2)cnn1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H17N5O3/c1-11-13(16(24)21-6-8-25-9-7-21)10-18-22(11)17-19-14-5-3-2-4-12(14)15(23)20-17/h2-5,10H,6-9H2,1H3,(H,19,20,23)
InChIKeyMPWQQVMBALQUJV-UHFFFAOYSA-N
XLogP0.89
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxoquinazolin-3(4H)-yl)oxy)-N,N-dimethylacetamide
CID 665533
4-methyl-N-[4-(morpholine-4-carbonyl)-2-phenylpyrazol-3-yl]benzamide
CID 1372063
4(1H)-Quinazolinone, 2-(1,5-dimethyl-1H-pyrazol-4-yl)-2,3-dihydro-3-hydroxy-
CID 4103501
N-(4-morpholinophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811266
N-(4-fluorobenzyl)-5-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 136081191
N,N-dimethyl-5-[(3-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxamide
CID 700633
2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-hydroxy-2,3-dihydroquinazolin-4(1H)-one
CID 3239266
N-[4-(morpholine-4-carbonyl)-2-phenylpyrazol-3-yl]-4-nitrobenzamide
CID 1068342
(2-fluorophenyl)-N-[1-phenyl-4-(piperidylcarbonyl)pyrazol-5-yl]carboxamide
CID 1284329
5-(2-Fluoro-benzoylamino)-1-phenyl-1H-pyrazole-4-carboxylic acid diethylamide
CID 1350803
N-(morpholine-4-carbothioyl)-1,3-diphenylpyrazole-4-carboxamide
CID 2333892
2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 122177907

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-3H-quinazolin-4-one (CID 137049237) is 2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-3H-quinazolin-4-one is Cc1c(C(=O)N2CCOCC2)cnn1-c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-3H-quinazolin-4-one?
The InChIKey is MPWQQVMBALQUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-11-13(16(24)21-6-8-25-9-7-21)10-18-22(11)17-19-14-5-3-2-4-12(14)15(23)20-17/h2-5,10H,6-9H2,1H3,(H,19,20,23).
What are the key properties of 2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-3H-quinazolin-4-one?
2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-3H-quinazolin-4-one has a molecular weight of 339.36 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 137049237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).