5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-6-methoxy-1-methylquinazoline-2,4-dione

C20H21FN2O4 — CID 118869702

IUPAC5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-6-methoxy-1-methylquinazoline-2,4-dione
SMILESCOc1ccc2c(c1Cc1ccc(F)cc1)c(=O)n(CCCO)c(=O)n2C
InChIInChI=1S/C20H21FN2O4/c1-22-16-8-9-17(27-2)15(12-13-4-6-14(21)7-5-13)18(16)19(25)23(20(22)26)10-3-11-24/h4-9,24H,3,10-12H2,1-2H3
InChIKeyKAAXWZBZKKWODH-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.82
Rot. Bonds6

About 5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-6-methoxy-1-methylquinazoline-2,4-dione

5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-6-methoxy-1-methylquinazoline-2,4-dione (PubChem CID 118869702) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-6-methoxy-1-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-6-methoxy-1-methylquinazoline-2,4-dione
PubChem CID118869702
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-6-methoxy-1-methylquinazoline-2,4-dione
SMILESCOc1ccc2c(c1Cc1ccc(F)cc1)c(=O)n(CCCO)c(=O)n2C
InChIInChI=1S/C20H21FN2O4/c1-22-16-8-9-17(27-2)15(12-13-4-6-14(21)7-5-13)18(16)19(25)23(20(22)26)10-3-11-24/h4-9,24H,3,10-12H2,1-2H3
InChIKeyKAAXWZBZKKWODH-UHFFFAOYSA-N
XLogP1.82
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-6-methoxy-1-methylquinazoline-2,4-dione?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-6-methoxy-1-methylquinazoline-2,4-dione (CID 118869702) is 5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-6-methoxy-1-methylquinazoline-2,4-dione.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-6-methoxy-1-methylquinazoline-2,4-dione?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-6-methoxy-1-methylquinazoline-2,4-dione is COc1ccc2c(c1Cc1ccc(F)cc1)c(=O)n(CCCO)c(=O)n2C.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-6-methoxy-1-methylquinazoline-2,4-dione?
The InChIKey is KAAXWZBZKKWODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-22-16-8-9-17(27-2)15(12-13-4-6-14(21)7-5-13)18(16)19(25)23(20(22)26)10-3-11-24/h4-9,24H,3,10-12H2,1-2H3.
What are the key properties of 5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-6-methoxy-1-methylquinazoline-2,4-dione?
5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-6-methoxy-1-methylquinazoline-2,4-dione has a molecular weight of 372.40 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-6-methoxy-1-methylquinazoline-2,4-dione is sourced from PubChem (CID 118869702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).