3-[4-(dimethylamino)phenyl]-2-(1H-inden-5-yl)quinazolin-4-one

C25H21N3O — CID 58532507

IUPAC3-[4-(dimethylamino)phenyl]-2-(1H-inden-5-yl)quinazolin-4-one
SMILESCN(C)c1ccc(-n2c(-c3ccc4c(c3)C=CC4)nc3ccccc3c2=O)cc1
InChIInChI=1S/C25H21N3O/c1-27(2)20-12-14-21(15-13-20)28-24(19-11-10-17-6-5-7-18(17)16-19)26-23-9-4-3-8-22(23)25(28)29/h3-5,7-16H,6H2,1-2H3
InChIKeyUDHLAOVTWQSYOO-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.69
Rot. Bonds3

About 3-[4-(dimethylamino)phenyl]-2-(1H-inden-5-yl)quinazolin-4-one

3-[4-(dimethylamino)phenyl]-2-(1H-inden-5-yl)quinazolin-4-one (PubChem CID 58532507) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-2-(1H-inden-5-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-2-(1H-inden-5-yl)quinazolin-4-one
PubChem CID58532507
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name3-[4-(dimethylamino)phenyl]-2-(1H-inden-5-yl)quinazolin-4-one
SMILESCN(C)c1ccc(-n2c(-c3ccc4c(c3)C=CC4)nc3ccccc3c2=O)cc1
InChIInChI=1S/C25H21N3O/c1-27(2)20-12-14-21(15-13-20)28-24(19-11-10-17-6-5-7-18(17)16-19)26-23-9-4-3-8-22(23)25(28)29/h3-5,7-16H,6H2,1-2H3
InChIKeyUDHLAOVTWQSYOO-UHFFFAOYSA-N
XLogP4.69
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
CID 142888475
2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353
3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247436
2-[3,5-bis(4-oxo-3-phenylquinazolin-2-yl)phenyl]-3-phenylquinazolin-4-one;2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one;2-[3-(4-oxo-3-phenylquinazolin-2-yl)phenyl]-3-phenylquinazolin-4-one
CID 157300729
2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one
CID 121247434
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 1047183
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 23854030
3-[3-(dimethylamino)phenyl]-2-methylquinazolin-4-one
CID 3031710
2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 829457
3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one
CID 717898

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-2-(1H-inden-5-yl)quinazolin-4-one?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-2-(1H-inden-5-yl)quinazolin-4-one (CID 58532507) is 3-[4-(dimethylamino)phenyl]-2-(1H-inden-5-yl)quinazolin-4-one.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-2-(1H-inden-5-yl)quinazolin-4-one?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-2-(1H-inden-5-yl)quinazolin-4-one is CN(C)c1ccc(-n2c(-c3ccc4c(c3)C=CC4)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-2-(1H-inden-5-yl)quinazolin-4-one?
The InChIKey is UDHLAOVTWQSYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c1-27(2)20-12-14-21(15-13-20)28-24(19-11-10-17-6-5-7-18(17)16-19)26-23-9-4-3-8-22(23)25(28)29/h3-5,7-16H,6H2,1-2H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-2-(1H-inden-5-yl)quinazolin-4-one?
3-[4-(dimethylamino)phenyl]-2-(1H-inden-5-yl)quinazolin-4-one has a molecular weight of 379.46 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-2-(1H-inden-5-yl)quinazolin-4-one is sourced from PubChem (CID 58532507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).