3-(4-oxoquinazolin-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide

C21H19N5O2 — CID 55729811

IUPAC3-(4-oxoquinazolin-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C21H19N5O2/c27-20(10-12-26-14-23-19-4-2-1-3-17(19)21(26)28)22-13-15-5-7-16(8-6-15)18-9-11-24-25-18/h1-9,11,14H,10,12-13H2,(H,22,27)(H,24,25)
InChIKeyXMMXTDFMTDLMKU-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.49
Rot. Bonds6

About 3-(4-oxoquinazolin-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide

3-(4-oxoquinazolin-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide (PubChem CID 55729811) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 3-(4-oxoquinazolin-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-oxoquinazolin-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
PubChem CID55729811
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name3-(4-oxoquinazolin-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C21H19N5O2/c27-20(10-12-26-14-23-19-4-2-1-3-17(19)21(26)28)22-13-15-5-7-16(8-6-15)18-9-11-24-25-18/h1-9,11,14H,10,12-13H2,(H,22,27)(H,24,25)
InChIKeyXMMXTDFMTDLMKU-UHFFFAOYSA-N
XLogP2.49
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490
3-(4-oxoquinazolin-3-yl)-N-(1H-pyrazol-5-yl)propanamide
CID 47083211
N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 34487848
N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 75489122
3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 36758177
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 121196726
3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 26835386
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55656687
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 35828474
N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 90537872
N-[(4-fluorophenyl)methyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide
CID 17417988

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide?
The IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide (CID 55729811) is 3-(4-oxoquinazolin-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(4-oxoquinazolin-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(4-oxoquinazolin-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide is O=C(CCn1cnc2ccccc2c1=O)NCc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 3-(4-oxoquinazolin-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide?
The InChIKey is XMMXTDFMTDLMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c27-20(10-12-26-14-23-19-4-2-1-3-17(19)21(26)28)22-13-15-5-7-16(8-6-15)18-9-11-24-25-18/h1-9,11,14H,10,12-13H2,(H,22,27)(H,24,25).
What are the key properties of 3-(4-oxoquinazolin-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide?
3-(4-oxoquinazolin-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide has a molecular weight of 373.42 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxoquinazolin-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 55729811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).