4-[7-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]piperazin-2-one

C24H23FN6O — CID 71203851

IUPAC4-[7-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]piperazin-2-one
SMILESCn1cc(-c2ccccc2)nc1CCc1nc(N2CCNC(=O)C2)c2ccc(F)cc2n1
InChIInChI=1S/C24H23FN6O/c1-30-14-20(16-5-3-2-4-6-16)28-22(30)10-9-21-27-19-13-17(25)7-8-18(19)24(29-21)31-12-11-26-23(32)15-31/h2-8,13-14H,9-12,15H2,1H3,(H,26,32)
InChIKeyKTKBRWYKSUKJDU-UHFFFAOYSA-N
MW430.49 g/mol
LogP2.89
Rot. Bonds5

About 4-[7-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]piperazin-2-one

4-[7-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]piperazin-2-one (PubChem CID 71203851) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is 4-[7-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[7-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]piperazin-2-one
PubChem CID71203851
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC Name4-[7-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]piperazin-2-one
SMILESCn1cc(-c2ccccc2)nc1CCc1nc(N2CCNC(=O)C2)c2ccc(F)cc2n1
InChIInChI=1S/C24H23FN6O/c1-30-14-20(16-5-3-2-4-6-16)28-22(30)10-9-21-27-19-13-17(25)7-8-18(19)24(29-21)31-12-11-26-23(32)15-31/h2-8,13-14H,9-12,15H2,1H3,(H,26,32)
InChIKeyKTKBRWYKSUKJDU-UHFFFAOYSA-N
XLogP2.89
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[7-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]piperazin-2-one with MolForge

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Related Compounds

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2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-5-[(4-methylquinazolin-2-yl)methyl]-7,8-dihydroimidazo[2,1-b]purin-4-one
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Frequently Asked Questions

What is the IUPAC name of 4-[7-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]piperazin-2-one?
The IUPAC name of 4-[7-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]piperazin-2-one (CID 71203851) is 4-[7-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]piperazin-2-one.
What is the SMILES notation for 4-[7-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]piperazin-2-one?
The canonical SMILES for 4-[7-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]piperazin-2-one is Cn1cc(-c2ccccc2)nc1CCc1nc(N2CCNC(=O)C2)c2ccc(F)cc2n1.
What is the InChIKey of 4-[7-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]piperazin-2-one?
The InChIKey is KTKBRWYKSUKJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-30-14-20(16-5-3-2-4-6-16)28-22(30)10-9-21-27-19-13-17(25)7-8-18(19)24(29-21)31-12-11-26-23(32)15-31/h2-8,13-14H,9-12,15H2,1H3,(H,26,32).
What are the key properties of 4-[7-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]piperazin-2-one?
4-[7-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]piperazin-2-one has a molecular weight of 430.49 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-fluoro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]piperazin-2-one is sourced from PubChem (CID 71203851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).