6-[(2-fluoro-5-methoxy-3-methylphenyl)methyl]-3-phenylquinazolin-4-one

C23H19FN2O2 — CID 161141835

IUPAC6-[(2-fluoro-5-methoxy-3-methylphenyl)methyl]-3-phenylquinazolin-4-one
SMILESCOc1cc(C)c(F)c(Cc2ccc3ncn(-c4ccccc4)c(=O)c3c2)c1
InChIInChI=1S/C23H19FN2O2/c1-15-10-19(28-2)13-17(22(15)24)11-16-8-9-21-20(12-16)23(27)26(14-25-21)18-6-4-3-5-7-18/h3-10,12-14H,11H2,1-2H3
InChIKeyUNNWJNYEPFNAOI-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.43
Rot. Bonds4

About 6-[(2-fluoro-5-methoxy-3-methylphenyl)methyl]-3-phenylquinazolin-4-one

6-[(2-fluoro-5-methoxy-3-methylphenyl)methyl]-3-phenylquinazolin-4-one (PubChem CID 161141835) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 6-[(2-fluoro-5-methoxy-3-methylphenyl)methyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name6-[(2-fluoro-5-methoxy-3-methylphenyl)methyl]-3-phenylquinazolin-4-one
PubChem CID161141835
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name6-[(2-fluoro-5-methoxy-3-methylphenyl)methyl]-3-phenylquinazolin-4-one
SMILESCOc1cc(C)c(F)c(Cc2ccc3ncn(-c4ccccc4)c(=O)c3c2)c1
InChIInChI=1S/C23H19FN2O2/c1-15-10-19(28-2)13-17(22(15)24)11-16-8-9-21-20(12-16)23(27)26(14-25-21)18-6-4-3-5-7-18/h3-10,12-14H,11H2,1-2H3
InChIKeyUNNWJNYEPFNAOI-UHFFFAOYSA-N
XLogP4.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 637050
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CID 10310082
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CID 24900844
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CID 708934
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CID 71598541
CID 71598541
CID 2216097
CID 2216097
CID 5912549
CID 5912549
CID 9845513
CID 9845513
CID 10237938
CID 10237938
CID 11854509
CID 11854509
CID 11854759
CID 11854759
CID 23631117
CID 23631117

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluoro-5-methoxy-3-methylphenyl)methyl]-3-phenylquinazolin-4-one?
The IUPAC name of 6-[(2-fluoro-5-methoxy-3-methylphenyl)methyl]-3-phenylquinazolin-4-one (CID 161141835) is 6-[(2-fluoro-5-methoxy-3-methylphenyl)methyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 6-[(2-fluoro-5-methoxy-3-methylphenyl)methyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 6-[(2-fluoro-5-methoxy-3-methylphenyl)methyl]-3-phenylquinazolin-4-one is COc1cc(C)c(F)c(Cc2ccc3ncn(-c4ccccc4)c(=O)c3c2)c1.
What is the InChIKey of 6-[(2-fluoro-5-methoxy-3-methylphenyl)methyl]-3-phenylquinazolin-4-one?
The InChIKey is UNNWJNYEPFNAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-15-10-19(28-2)13-17(22(15)24)11-16-8-9-21-20(12-16)23(27)26(14-25-21)18-6-4-3-5-7-18/h3-10,12-14H,11H2,1-2H3.
What are the key properties of 6-[(2-fluoro-5-methoxy-3-methylphenyl)methyl]-3-phenylquinazolin-4-one?
6-[(2-fluoro-5-methoxy-3-methylphenyl)methyl]-3-phenylquinazolin-4-one has a molecular weight of 374.42 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluoro-5-methoxy-3-methylphenyl)methyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 161141835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).