6-[(3-fluorophenyl)-hydroxymethyl]-3-methyl-1,4-dihydroquinazolin-2-one

C16H15FN2O2 — CID 82010031

IUPAC6-[(3-fluorophenyl)-hydroxymethyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(O)c3cccc(F)c3)ccc2NC1=O
InChIInChI=1S/C16H15FN2O2/c1-19-9-12-7-11(5-6-14(12)18-16(19)21)15(20)10-3-2-4-13(17)8-10/h2-8,15,20H,9H2,1H3,(H,18,21)
InChIKeyKXRBUTXRIACWDQ-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.88
Rot. Bonds2

About 6-[(3-fluorophenyl)-hydroxymethyl]-3-methyl-1,4-dihydroquinazolin-2-one

6-[(3-fluorophenyl)-hydroxymethyl]-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 82010031) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)-hydroxymethyl]-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-[(3-fluorophenyl)-hydroxymethyl]-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID82010031
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name6-[(3-fluorophenyl)-hydroxymethyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(O)c3cccc(F)c3)ccc2NC1=O
InChIInChI=1S/C16H15FN2O2/c1-19-9-12-7-11(5-6-14(12)18-16(19)21)15(20)10-3-2-4-13(17)8-10/h2-8,15,20H,9H2,1H3,(H,18,21)
InChIKeyKXRBUTXRIACWDQ-UHFFFAOYSA-N
XLogP2.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)-hydroxymethyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-[(3-fluorophenyl)-hydroxymethyl]-3-methyl-1,4-dihydroquinazolin-2-one (CID 82010031) is 6-[(3-fluorophenyl)-hydroxymethyl]-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-[(3-fluorophenyl)-hydroxymethyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-[(3-fluorophenyl)-hydroxymethyl]-3-methyl-1,4-dihydroquinazolin-2-one is CN1Cc2cc(C(O)c3cccc(F)c3)ccc2NC1=O.
What is the InChIKey of 6-[(3-fluorophenyl)-hydroxymethyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is KXRBUTXRIACWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-19-9-12-7-11(5-6-14(12)18-16(19)21)15(20)10-3-2-4-13(17)8-10/h2-8,15,20H,9H2,1H3,(H,18,21).
What are the key properties of 6-[(3-fluorophenyl)-hydroxymethyl]-3-methyl-1,4-dihydroquinazolin-2-one?
6-[(3-fluorophenyl)-hydroxymethyl]-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 286.31 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)-hydroxymethyl]-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 82010031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).