6-[1-(3-morpholin-4-ylphenyl)pyrazol-4-yl]-2-propan-2-yl-3H-quinazolin-4-one

C24H25N5O2 — CID 136962305

IUPAC6-[1-(3-morpholin-4-ylphenyl)pyrazol-4-yl]-2-propan-2-yl-3H-quinazolin-4-one
SMILESCC(C)c1nc2ccc(-c3cnn(-c4cccc(N5CCOCC5)c4)c3)cc2c(=O)[nH]1
InChIInChI=1S/C24H25N5O2/c1-16(2)23-26-22-7-6-17(12-21(22)24(30)27-23)18-14-25-29(15-18)20-5-3-4-19(13-20)28-8-10-31-11-9-28/h3-7,12-16H,8-11H2,1-2H3,(H,26,27,30)
InChIKeyGIJJQNVKIIPBTD-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.74
Rot. Bonds4

About 6-[1-(3-morpholin-4-ylphenyl)pyrazol-4-yl]-2-propan-2-yl-3H-quinazolin-4-one

6-[1-(3-morpholin-4-ylphenyl)pyrazol-4-yl]-2-propan-2-yl-3H-quinazolin-4-one (PubChem CID 136962305) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 6-[1-(3-morpholin-4-ylphenyl)pyrazol-4-yl]-2-propan-2-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-[1-(3-morpholin-4-ylphenyl)pyrazol-4-yl]-2-propan-2-yl-3H-quinazolin-4-one
PubChem CID136962305
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name6-[1-(3-morpholin-4-ylphenyl)pyrazol-4-yl]-2-propan-2-yl-3H-quinazolin-4-one
SMILESCC(C)c1nc2ccc(-c3cnn(-c4cccc(N5CCOCC5)c4)c3)cc2c(=O)[nH]1
InChIInChI=1S/C24H25N5O2/c1-16(2)23-26-22-7-6-17(12-21(22)24(30)27-23)18-14-25-29(15-18)20-5-3-4-19(13-20)28-8-10-31-11-9-28/h3-7,12-16H,8-11H2,1-2H3,(H,26,27,30)
InChIKeyGIJJQNVKIIPBTD-UHFFFAOYSA-N
XLogP3.74
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[1-(3-morpholin-4-ylphenyl)pyrazol-4-yl]-2-propan-2-yl-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-6-morpholin-4-yl-3H-quinazolin-4-one
CID 140904912
2,3-dimethyl-6-[1-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-4-yl]quinazolin-4-one;bis(2,2,2-trifluoroacetic acid)
CID 117078880
2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one
CID 135406762
2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135952975
2-[(1R)-1-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3H-quinazolin-4-one
CID 135881868
3-[4-(4-methylphenyl)pyrazol-1-yl]benzoic acid
CID 11558186
4-[4-[1-[3-(3-methoxyazetidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine
CID 138707918
3-[1-(3-hydroxyphenyl)pyrazol-4-yl]benzoic acid
CID 67506851
6-amino-2-morpholin-4-yl-3H-quinazolin-4-one
CID 136808511
3-methyl-7-(3-morpholin-4-ylphenyl)quinazolin-4-one
CID 167886236
2-(1-benzothiophen-3-yl)-6-morpholin-4-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-piperidin-1-yl-3H-quinazolin-4-one;2-(1-benzothiophen-3-yl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 158662772
7-(dimethylamino)-3-(3-morpholin-4-ylphenyl)-2H-isoquinolin-1-one
CID 143087038

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-morpholin-4-ylphenyl)pyrazol-4-yl]-2-propan-2-yl-3H-quinazolin-4-one?
The IUPAC name of 6-[1-(3-morpholin-4-ylphenyl)pyrazol-4-yl]-2-propan-2-yl-3H-quinazolin-4-one (CID 136962305) is 6-[1-(3-morpholin-4-ylphenyl)pyrazol-4-yl]-2-propan-2-yl-3H-quinazolin-4-one.
What is the SMILES notation for 6-[1-(3-morpholin-4-ylphenyl)pyrazol-4-yl]-2-propan-2-yl-3H-quinazolin-4-one?
The canonical SMILES for 6-[1-(3-morpholin-4-ylphenyl)pyrazol-4-yl]-2-propan-2-yl-3H-quinazolin-4-one is CC(C)c1nc2ccc(-c3cnn(-c4cccc(N5CCOCC5)c4)c3)cc2c(=O)[nH]1.
What is the InChIKey of 6-[1-(3-morpholin-4-ylphenyl)pyrazol-4-yl]-2-propan-2-yl-3H-quinazolin-4-one?
The InChIKey is GIJJQNVKIIPBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16(2)23-26-22-7-6-17(12-21(22)24(30)27-23)18-14-25-29(15-18)20-5-3-4-19(13-20)28-8-10-31-11-9-28/h3-7,12-16H,8-11H2,1-2H3,(H,26,27,30).
What are the key properties of 6-[1-(3-morpholin-4-ylphenyl)pyrazol-4-yl]-2-propan-2-yl-3H-quinazolin-4-one?
6-[1-(3-morpholin-4-ylphenyl)pyrazol-4-yl]-2-propan-2-yl-3H-quinazolin-4-one has a molecular weight of 415.50 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-morpholin-4-ylphenyl)pyrazol-4-yl]-2-propan-2-yl-3H-quinazolin-4-one is sourced from PubChem (CID 136962305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).