3-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one

C23H19BrN4O — CID 4569801

IUPAC3-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one
SMILESCN(C)c1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1Br
InChIInChI=1S/C23H19BrN4O/c1-27(2)21-13-12-16(14-19(21)24)15-25-28-22(17-8-4-3-5-9-17)26-20-11-7-6-10-18(20)23(28)29/h3-15H,1-2H3
InChIKeyFDBHCGISMXMFBD-UHFFFAOYSA-N
MW447.34 g/mol
LogP4.77
Rot. Bonds4

About 3-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one

3-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one (PubChem CID 4569801) has the molecular formula C23H19BrN4O and a molecular weight of 447.34 g/mol. Its IUPAC name is 3-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one
PubChem CID4569801
Molecular FormulaC23H19BrN4O
Molecular Weight447.34 g/mol
Exact Mass446.07
IUPAC Name3-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one
SMILESCN(C)c1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1Br
InChIInChI=1S/C23H19BrN4O/c1-27(2)21-13-12-16(14-19(21)24)15-25-28-22(17-8-4-3-5-9-17)26-20-11-7-6-10-18(20)23(28)29/h3-15H,1-2H3
InChIKeyFDBHCGISMXMFBD-UHFFFAOYSA-N
XLogP4.77
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.34
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 126409174
3-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one;3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one
CID 67601940
3-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 136904665
3-[(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 126406683
3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 135770164
2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one
CID 4025421
3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 126409051
6-bromo-3-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-propan-2-ylquinazolin-4-one
CID 126284645
3-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 126407955
3-[(3-bromo-4-ethoxy-5-nitrophenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 126411801
2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one
CID 1049564
[4-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenyl] acetate
CID 126405316

Frequently Asked Questions

What is the IUPAC name of 3-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one?
The IUPAC name of 3-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one (CID 4569801) is 3-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one is CN(C)c1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1Br.
What is the InChIKey of 3-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one?
The InChIKey is FDBHCGISMXMFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN4O/c1-27(2)21-13-12-16(14-19(21)24)15-25-28-22(17-8-4-3-5-9-17)26-20-11-7-6-10-18(20)23(28)29/h3-15H,1-2H3.
What are the key properties of 3-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one?
3-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one has a molecular weight of 447.34 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one is sourced from PubChem (CID 4569801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).