2-[4-(4-fluoro-2-methoxyphenyl)piperazine-1-carbonyl]-4H-pyrrolo[1,2-a]quinazolin-5-one

C23H21FN4O3 — CID 71231689

IUPAC2-[4-(4-fluoro-2-methoxyphenyl)piperazine-1-carbonyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
SMILESCOc1cc(F)ccc1N1CCN(C(=O)c2cc3[nH]c(=O)c4ccccc4n3c2)CC1
InChIInChI=1S/C23H21FN4O3/c1-31-20-13-16(24)6-7-19(20)26-8-10-27(11-9-26)23(30)15-12-21-25-22(29)17-4-2-3-5-18(17)28(21)14-15/h2-7,12-14H,8-11H2,1H3,(H,25,29)
InChIKeyMBLSHBDCWJAJPR-UHFFFAOYSA-N
MW420.44 g/mol
LogP2.89
Rot. Bonds3

About 2-[4-(4-fluoro-2-methoxyphenyl)piperazine-1-carbonyl]-4H-pyrrolo[1,2-a]quinazolin-5-one

2-[4-(4-fluoro-2-methoxyphenyl)piperazine-1-carbonyl]-4H-pyrrolo[1,2-a]quinazolin-5-one (PubChem CID 71231689) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is 2-[4-(4-fluoro-2-methoxyphenyl)piperazine-1-carbonyl]-4H-pyrrolo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name2-[4-(4-fluoro-2-methoxyphenyl)piperazine-1-carbonyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
PubChem CID71231689
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name2-[4-(4-fluoro-2-methoxyphenyl)piperazine-1-carbonyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
SMILESCOc1cc(F)ccc1N1CCN(C(=O)c2cc3[nH]c(=O)c4ccccc4n3c2)CC1
InChIInChI=1S/C23H21FN4O3/c1-31-20-13-16(24)6-7-19(20)26-8-10-27(11-9-26)23(30)15-12-21-25-22(29)17-4-2-3-5-18(17)28(21)14-15/h2-7,12-14H,8-11H2,1H3,(H,25,29)
InChIKeyMBLSHBDCWJAJPR-UHFFFAOYSA-N
XLogP2.89
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-fluoro-2-methoxyphenyl)piperazine-1-carbonyl]-4H-pyrrolo[1,2-a]quinazolin-5-one with MolForge

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Related Compounds

2-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71231666
2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71231713
2-(4-pyridin-3-ylpiperazine-1-carbonyl)-4H-pyrrolo[1,2-a]quinazolin-5-one
CID 71231715
(3-aminophenyl)-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119888924
1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 166207818
1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone
CID 111538787
2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 122157838
3-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120504044
(2-bromo-4-fluorophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9033985
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone
CID 9034036
3-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;dihydrochloride
CID 119888904
(3,5-dichloro-4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9034132

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-2-methoxyphenyl)piperazine-1-carbonyl]-4H-pyrrolo[1,2-a]quinazolin-5-one?
The IUPAC name of 2-[4-(4-fluoro-2-methoxyphenyl)piperazine-1-carbonyl]-4H-pyrrolo[1,2-a]quinazolin-5-one (CID 71231689) is 2-[4-(4-fluoro-2-methoxyphenyl)piperazine-1-carbonyl]-4H-pyrrolo[1,2-a]quinazolin-5-one.
What is the SMILES notation for 2-[4-(4-fluoro-2-methoxyphenyl)piperazine-1-carbonyl]-4H-pyrrolo[1,2-a]quinazolin-5-one?
The canonical SMILES for 2-[4-(4-fluoro-2-methoxyphenyl)piperazine-1-carbonyl]-4H-pyrrolo[1,2-a]quinazolin-5-one is COc1cc(F)ccc1N1CCN(C(=O)c2cc3[nH]c(=O)c4ccccc4n3c2)CC1.
What is the InChIKey of 2-[4-(4-fluoro-2-methoxyphenyl)piperazine-1-carbonyl]-4H-pyrrolo[1,2-a]quinazolin-5-one?
The InChIKey is MBLSHBDCWJAJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-31-20-13-16(24)6-7-19(20)26-8-10-27(11-9-26)23(30)15-12-21-25-22(29)17-4-2-3-5-18(17)28(21)14-15/h2-7,12-14H,8-11H2,1H3,(H,25,29).
What are the key properties of 2-[4-(4-fluoro-2-methoxyphenyl)piperazine-1-carbonyl]-4H-pyrrolo[1,2-a]quinazolin-5-one?
2-[4-(4-fluoro-2-methoxyphenyl)piperazine-1-carbonyl]-4H-pyrrolo[1,2-a]quinazolin-5-one has a molecular weight of 420.44 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-2-methoxyphenyl)piperazine-1-carbonyl]-4H-pyrrolo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 71231689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).