3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide

C23H20BrN5O2 — CID 30399323

IUPAC3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide
SMILESO=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1c2c(nn1-c1ccccc1)CCC2
InChIInChI=1S/C23H20BrN5O2/c24-15-9-10-19-18(13-15)23(31)28(14-25-19)12-11-21(30)26-22-17-7-4-8-20(17)27-29(22)16-5-2-1-3-6-16/h1-3,5-6,9-10,13-14H,4,7-8,11-12H2,(H,26,30)
InChIKeyOWLZCSSOJZGHNK-UHFFFAOYSA-N
MW478.35 g/mol
LogP3.86
Rot. Bonds5

About 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide

3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide (PubChem CID 30399323) has the molecular formula C23H20BrN5O2 and a molecular weight of 478.35 g/mol. Its IUPAC name is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide
PubChem CID30399323
Molecular FormulaC23H20BrN5O2
Molecular Weight478.35 g/mol
Exact Mass477.08
IUPAC Name3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide
SMILESO=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1c2c(nn1-c1ccccc1)CCC2
InChIInChI=1S/C23H20BrN5O2/c24-15-9-10-19-18(13-15)23(31)28(14-25-19)12-11-21(30)26-22-17-7-4-8-20(17)27-29(22)16-5-2-1-3-6-16/h1-3,5-6,9-10,13-14H,4,7-8,11-12H2,(H,26,30)
InChIKeyOWLZCSSOJZGHNK-UHFFFAOYSA-N
XLogP3.86
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide
CID 46580979
N-(2-benzylphenyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 30288435
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 31301273
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
CID 43036753
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 30884886
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(2-phenylethoxy)phenyl]propanamide
CID 55675001
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide
CID 30286634
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-fluorophenyl)propanamide
CID 34745509
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 31113625
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide
CID 55480091
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylphenyl)propanamide
CID 31150939
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(1-phenylethylamino)phenyl]propanamide
CID 55987816

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide?
The IUPAC name of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide (CID 30399323) is 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide?
The canonical SMILES for 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide is O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1c2c(nn1-c1ccccc1)CCC2.
What is the InChIKey of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide?
The InChIKey is OWLZCSSOJZGHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN5O2/c24-15-9-10-19-18(13-15)23(31)28(14-25-19)12-11-21(30)26-22-17-7-4-8-20(17)27-29(22)16-5-2-1-3-6-16/h1-3,5-6,9-10,13-14H,4,7-8,11-12H2,(H,26,30).
What are the key properties of 3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide?
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide has a molecular weight of 478.35 g/mol, XLogP of 3.86, 5 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-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide is sourced from PubChem (CID 30399323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).