1-[(3-fluorophenyl)methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione

C24H21FN2O2 — CID 15989659

IUPAC1-[(3-fluorophenyl)methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione
SMILESCc1cccc(CCn2c(=O)c3ccccc3n(Cc3cccc(F)c3)c2=O)c1
InChIInChI=1S/C24H21FN2O2/c1-17-6-4-7-18(14-17)12-13-26-23(28)21-10-2-3-11-22(21)27(24(26)29)16-19-8-5-9-20(25)15-19/h2-11,14-15H,12-13,16H2,1H3
InChIKeyBRSALRLAAPSUOG-UHFFFAOYSA-N
MW388.44 g/mol
LogP3.90
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione

1-[(3-fluorophenyl)methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione (PubChem CID 15989659) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione
PubChem CID15989659
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC Name1-[(3-fluorophenyl)methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione
SMILESCc1cccc(CCn2c(=O)c3ccccc3n(Cc3cccc(F)c3)c2=O)c1
InChIInChI=1S/C24H21FN2O2/c1-17-6-4-7-18(14-17)12-13-26-23(28)21-10-2-3-11-22(21)27(24(26)29)16-19-8-5-9-20(25)15-19/h2-11,14-15H,12-13,16H2,1H3
InChIKeyBRSALRLAAPSUOG-UHFFFAOYSA-N
XLogP3.90
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione (CID 15989659) is 1-[(3-fluorophenyl)methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione is Cc1cccc(CCn2c(=O)c3ccccc3n(Cc3cccc(F)c3)c2=O)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione?
The InChIKey is BRSALRLAAPSUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c1-17-6-4-7-18(14-17)12-13-26-23(28)21-10-2-3-11-22(21)27(24(26)29)16-19-8-5-9-20(25)15-19/h2-11,14-15H,12-13,16H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione?
1-[(3-fluorophenyl)methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione has a molecular weight of 388.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-[2-(3-methylphenyl)ethyl]quinazoline-2,4-dione is sourced from PubChem (CID 15989659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).