3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one

C23H17N3O — CID 121275734

IUPAC3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1Cc1cccc(-c2ccc3ccccn23)c1
InChIInChI=1S/C23H17N3O/c27-23-20-9-1-2-10-21(20)24-16-25(23)15-17-6-5-7-18(14-17)22-12-11-19-8-3-4-13-26(19)22/h1-14,16H,15H2
InChIKeyAEEFRDUMKLXFPK-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.36
Rot. Bonds3

About 3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one

3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one (PubChem CID 121275734) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one
PubChem CID121275734
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1Cc1cccc(-c2ccc3ccccn23)c1
InChIInChI=1S/C23H17N3O/c27-23-20-9-1-2-10-21(20)24-16-25(23)15-17-6-5-7-18(14-17)22-12-11-19-8-3-4-13-26(19)22/h1-14,16H,15H2
InChIKeyAEEFRDUMKLXFPK-UHFFFAOYSA-N
XLogP4.36
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-phenylphenyl)methyl]quinazolin-4-one
CID 121275766
3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-one
CID 4809358
3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
3-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinazolin-4-one
CID 47061607
3-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one
CID 121275735
7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one
CID 27076082
3-[(2-phenylphenyl)methyl]quinazolin-4-one
CID 174752260
3-[(5-bromo-3-pyridinyl)methyl]quinazolin-4-one
CID 39528816
3-[(3-bromo-4-methoxyphenyl)methyl]quinazolin-4-one
CID 9138174
3-[[2-(ethylamino)-4-pyridinyl]methyl]quinazolin-4-one
CID 62464027
1-[(3-phenylphenyl)methyl]benzimidazole
CID 53320325
3-benzyl-7-bromoquinazolin-4-one
CID 23158166

Frequently Asked Questions

What is the IUPAC name of 3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one?
The IUPAC name of 3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one (CID 121275734) is 3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one?
The canonical SMILES for 3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one is O=c1c2ccccc2ncn1Cc1cccc(-c2ccc3ccccn23)c1.
What is the InChIKey of 3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one?
The InChIKey is AEEFRDUMKLXFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c27-23-20-9-1-2-10-21(20)24-16-25(23)15-17-6-5-7-18(14-17)22-12-11-19-8-3-4-13-26(19)22/h1-14,16H,15H2.
What are the key properties of 3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one?
3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one has a molecular weight of 351.41 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-indolizin-3-ylphenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 121275734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).