3-(4-butan-2-ylphenyl)-2-(1H-indol-7-yl)quinazolin-4-one

C26H23N3O — CID 46840315

IUPAC3-(4-butan-2-ylphenyl)-2-(1H-indol-7-yl)quinazolin-4-one
SMILESCCC(C)c1ccc(-n2c(-c3cccc4cc[nH]c34)nc3ccccc3c2=O)cc1
InChIInChI=1S/C26H23N3O/c1-3-17(2)18-11-13-20(14-12-18)29-25(22-9-6-7-19-15-16-27-24(19)22)28-23-10-5-4-8-21(23)26(29)30/h4-17,27H,3H2,1-2H3
InChIKeyFIIGJZVHSNKSIU-UHFFFAOYSA-N
MW393.49 g/mol
LogP6.05
Rot. Bonds4

About 3-(4-butan-2-ylphenyl)-2-(1H-indol-7-yl)quinazolin-4-one

3-(4-butan-2-ylphenyl)-2-(1H-indol-7-yl)quinazolin-4-one (PubChem CID 46840315) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-(4-butan-2-ylphenyl)-2-(1H-indol-7-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-(4-butan-2-ylphenyl)-2-(1H-indol-7-yl)quinazolin-4-one
PubChem CID46840315
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Name3-(4-butan-2-ylphenyl)-2-(1H-indol-7-yl)quinazolin-4-one
SMILESCCC(C)c1ccc(-n2c(-c3cccc4cc[nH]c34)nc3ccccc3c2=O)cc1
InChIInChI=1S/C26H23N3O/c1-3-17(2)18-11-13-20(14-12-18)29-25(22-9-6-7-19-15-16-27-24(19)22)28-23-10-5-4-8-21(23)26(29)30/h4-17,27H,3H2,1-2H3
InChIKeyFIIGJZVHSNKSIU-UHFFFAOYSA-N
XLogP6.05
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(2R)-butan-2-yl]phenyl]-2-(5-fluoro-1H-indol-3-yl)quinazolin-4-one
CID 136785939
3-(4-butan-2-ylphenyl)-2-(3,5-dimethoxyphenyl)quinazolin-4-one
CID 24720134
3-(4-butan-2-ylphenyl)-2-[2-[(E)-2-(dimethylamino)ethenyl]-3-nitrophenyl]quinazolin-4-one
CID 87407082
(2S)-2-[3-[4-[(2R)-butan-2-yl]phenyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2580849
2-[(4-bromophenyl)methylsulfanyl]-3-(4-butan-2-ylphenyl)quinazolin-4-one
CID 4253650
3-[4-[(2R)-butan-2-yl]phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]quinazolin-4-one
CID 7629175
2-[3-[4-[(2R)-butan-2-yl]phenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-tert-butylacetamide
CID 7907724
2-[3-(4-butan-2-ylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylacetamide
CID 5213988
2-[3-(4-butan-2-ylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(cyclopropylmethyl)acetamide
CID 46526601
3-(4-butan-2-ylphenyl)-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 3917362
2-(2-ethoxyphenyl)-3-[4-(2H-tetrazol-5-yl)phenyl]quinazolin-4-one
CID 90011394
2-[3-(4-butan-2-ylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 4590966

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylphenyl)-2-(1H-indol-7-yl)quinazolin-4-one?
The IUPAC name of 3-(4-butan-2-ylphenyl)-2-(1H-indol-7-yl)quinazolin-4-one (CID 46840315) is 3-(4-butan-2-ylphenyl)-2-(1H-indol-7-yl)quinazolin-4-one.
What is the SMILES notation for 3-(4-butan-2-ylphenyl)-2-(1H-indol-7-yl)quinazolin-4-one?
The canonical SMILES for 3-(4-butan-2-ylphenyl)-2-(1H-indol-7-yl)quinazolin-4-one is CCC(C)c1ccc(-n2c(-c3cccc4cc[nH]c34)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-butan-2-ylphenyl)-2-(1H-indol-7-yl)quinazolin-4-one?
The InChIKey is FIIGJZVHSNKSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c1-3-17(2)18-11-13-20(14-12-18)29-25(22-9-6-7-19-15-16-27-24(19)22)28-23-10-5-4-8-21(23)26(29)30/h4-17,27H,3H2,1-2H3.
What are the key properties of 3-(4-butan-2-ylphenyl)-2-(1H-indol-7-yl)quinazolin-4-one?
3-(4-butan-2-ylphenyl)-2-(1H-indol-7-yl)quinazolin-4-one has a molecular weight of 393.49 g/mol, XLogP of 6.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylphenyl)-2-(1H-indol-7-yl)quinazolin-4-one is sourced from PubChem (CID 46840315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).