3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide

C22H20BrN5O2 — CID 112808828

IUPAC3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide
SMILESCc1ccc(Cn2nccc2NC(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1
InChIInChI=1S/C22H20BrN5O2/c1-15-2-4-16(5-3-15)13-28-20(8-10-25-28)26-21(29)9-11-27-14-24-19-7-6-17(23)12-18(19)22(27)30/h2-8,10,12,14H,9,11,13H2,1H3,(H,26,29)
InChIKeyMSCIVIHLJGJLCA-UHFFFAOYSA-N
MW466.34 g/mol
LogP3.74
Rot. Bonds6

About 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide

3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide (PubChem CID 112808828) has the molecular formula C22H20BrN5O2 and a molecular weight of 466.34 g/mol. Its IUPAC name is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide
PubChem CID112808828
Molecular FormulaC22H20BrN5O2
Molecular Weight466.34 g/mol
Exact Mass465.08
IUPAC Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide
SMILESCc1ccc(Cn2nccc2NC(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1
InChIInChI=1S/C22H20BrN5O2/c1-15-2-4-16(5-3-15)13-28-20(8-10-25-28)26-21(29)9-11-27-14-24-19-7-6-17(23)12-18(19)22(27)30/h2-8,10,12,14H,9,11,13H2,1H3,(H,26,29)
InChIKeyMSCIVIHLJGJLCA-UHFFFAOYSA-N
XLogP3.74
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide with MolForge

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Related Compounds

3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide
CID 30292391
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 38046402
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 31113625
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide
CID 46580979
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide
CID 30286634
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 30884886
methyl 2-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]-2-methylpropanoate
CID 43074401
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 43032526
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 31301273
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 55512357
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide
CID 34745509
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methoxy-N-methylpropanamide
CID 51331711

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide?
The IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide (CID 112808828) is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide?
The canonical SMILES for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide is Cc1ccc(Cn2nccc2NC(=O)CCn2cnc3ccc(Br)cc3c2=O)cc1.
What is the InChIKey of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide?
The InChIKey is MSCIVIHLJGJLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN5O2/c1-15-2-4-16(5-3-15)13-28-20(8-10-25-28)26-21(29)9-11-27-14-24-19-7-6-17(23)12-18(19)22(27)30/h2-8,10,12,14H,9,11,13H2,1H3,(H,26,29).
What are the key properties of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide?
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide has a molecular weight of 466.34 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 112808828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).