6-bromo-3-[3-oxo-3-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propyl]quinazolin-4-one

C24H21BrN4O2 — CID 51935867

IUPAC6-bromo-3-[3-oxo-3-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propyl]quinazolin-4-one
SMILESO=C(CCn1cnc2ccc(Br)cc2c1=O)N1CCn2cccc2[C@@H]1c1ccccc1
InChIInChI=1S/C24H21BrN4O2/c25-18-8-9-20-19(15-18)24(31)28(16-26-20)12-10-22(30)29-14-13-27-11-4-7-21(27)23(29)17-5-2-1-3-6-17/h1-9,11,15-16,23H,10,12-14H2/t23-/m0/s1
InChIKeyUTHBOYLAQSYBGD-QHCPKHFHSA-N
MW477.36 g/mol
LogP3.98
Rot. Bonds4

About 6-bromo-3-[3-oxo-3-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propyl]quinazolin-4-one

6-bromo-3-[3-oxo-3-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propyl]quinazolin-4-one (PubChem CID 51935867) has the molecular formula C24H21BrN4O2 and a molecular weight of 477.36 g/mol. Its IUPAC name is 6-bromo-3-[3-oxo-3-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propyl]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[3-oxo-3-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propyl]quinazolin-4-one
PubChem CID51935867
Molecular FormulaC24H21BrN4O2
Molecular Weight477.36 g/mol
Exact Mass476.08
IUPAC Name6-bromo-3-[3-oxo-3-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propyl]quinazolin-4-one
SMILESO=C(CCn1cnc2ccc(Br)cc2c1=O)N1CCn2cccc2[C@@H]1c1ccccc1
InChIInChI=1S/C24H21BrN4O2/c25-18-8-9-20-19(15-18)24(31)28(16-26-20)12-10-22(30)29-14-13-27-11-4-7-21(27)23(29)17-5-2-1-3-6-17/h1-9,11,15-16,23H,10,12-14H2/t23-/m0/s1
InChIKeyUTHBOYLAQSYBGD-QHCPKHFHSA-N
XLogP3.98
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-bromo-3-[3-oxo-3-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propyl]quinazolin-4-one with MolForge

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Related Compounds

6-bromo-3-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 55509282
3-[3-oxo-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]pyrimidin-4-one
CID 146128915
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 110647019
6-bromo-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 42938979
3-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-6-bromoquinazolin-4-one;hydrochloride
CID 119376047
6-bromo-3-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 31111530
methyl 2-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 112809935
ethyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 36861207
6-bromo-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 31069717
6-bromo-3-[3-[(3S)-3-methylpiperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124697383
tert-butyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 31122265
3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one
CID 51319060

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[3-oxo-3-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propyl]quinazolin-4-one?
The IUPAC name of 6-bromo-3-[3-oxo-3-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propyl]quinazolin-4-one (CID 51935867) is 6-bromo-3-[3-oxo-3-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propyl]quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[3-oxo-3-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propyl]quinazolin-4-one?
The canonical SMILES for 6-bromo-3-[3-oxo-3-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propyl]quinazolin-4-one is O=C(CCn1cnc2ccc(Br)cc2c1=O)N1CCn2cccc2[C@@H]1c1ccccc1.
What is the InChIKey of 6-bromo-3-[3-oxo-3-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propyl]quinazolin-4-one?
The InChIKey is UTHBOYLAQSYBGD-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H21BrN4O2/c25-18-8-9-20-19(15-18)24(31)28(16-26-20)12-10-22(30)29-14-13-27-11-4-7-21(27)23(29)17-5-2-1-3-6-17/h1-9,11,15-16,23H,10,12-14H2/t23-/m0/s1.
What are the key properties of 6-bromo-3-[3-oxo-3-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propyl]quinazolin-4-one?
6-bromo-3-[3-oxo-3-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propyl]quinazolin-4-one has a molecular weight of 477.36 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[3-oxo-3-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propyl]quinazolin-4-one is sourced from PubChem (CID 51935867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).