7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one

C24H16F2N4O2 — CID 27076082

IUPAC7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one
SMILESO=c1c2ccc(F)cc2ncn1Cc1cccc(Cn2cnc3cc(F)ccc3c2=O)c1
InChIInChI=1S/C24H16F2N4O2/c25-17-4-6-19-21(9-17)27-13-29(23(19)31)11-15-2-1-3-16(8-15)12-30-14-28-22-10-18(26)5-7-20(22)24(30)32/h1-10,13-14H,11-12H2
InChIKeySHLVEFUKRCCDED-UHFFFAOYSA-N
MW430.41 g/mol
LogP3.48
Rot. Bonds4

About 7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one

7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one (PubChem CID 27076082) has the molecular formula C24H16F2N4O2 and a molecular weight of 430.41 g/mol. Its IUPAC name is 7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one
PubChem CID27076082
Molecular FormulaC24H16F2N4O2
Molecular Weight430.41 g/mol
Exact Mass430.12
IUPAC Name7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one
SMILESO=c1c2ccc(F)cc2ncn1Cc1cccc(Cn2cnc3cc(F)ccc3c2=O)c1
InChIInChI=1S/C24H16F2N4O2/c25-17-4-6-19-21(9-17)27-13-29(23(19)31)11-15-2-1-3-16(8-15)12-30-14-28-22-10-18(26)5-7-20(22)24(30)32/h1-10,13-14H,11-12H2
InChIKeySHLVEFUKRCCDED-UHFFFAOYSA-N
XLogP3.48
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzyl-7-fluoroquinazolin-4-one
CID 17474862
3-[(3-chlorophenyl)methyl]-7-fluoroquinazolin-4-one
CID 40743497
7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 40743657
3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one
CID 24524274
7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 118722436
7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one
CID 18099398
3-(2-bromoethyl)-7-fluoroquinazolin-4-one
CID 122191245
3-[(3-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 18195406
3-benzyl-7-bromoquinazolin-4-one
CID 23158166
3-[(3-phenylphenyl)methyl]quinazolin-4-one
CID 121275766
3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid
CID 112707958
2-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 17459421

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one (CID 27076082) is 7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one is O=c1c2ccc(F)cc2ncn1Cc1cccc(Cn2cnc3cc(F)ccc3c2=O)c1.
What is the InChIKey of 7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one?
The InChIKey is SHLVEFUKRCCDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N4O2/c25-17-4-6-19-21(9-17)27-13-29(23(19)31)11-15-2-1-3-16(8-15)12-30-14-28-22-10-18(26)5-7-20(22)24(30)32/h1-10,13-14H,11-12H2.
What are the key properties of 7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one?
7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one has a molecular weight of 430.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one is sourced from PubChem (CID 27076082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).