3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one

C25H24N4O2 — CID 6863529

IUPAC3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
SMILESCc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C25H24N4O2/c1-18-8-4-7-11-23(18)31-17-24-27-22-10-6-5-9-21(22)25(30)29(24)26-16-19-12-14-20(15-13-19)28(2)3/h4-16H,17H2,1-3H3/b26-16+
InChIKeyFMFGONSADNJHQB-WGOQTCKBSA-N
MW412.49 g/mol
LogP4.23
Rot. Bonds6

About 3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one

3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one (PubChem CID 6863529) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
PubChem CID6863529
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
SMILESCc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C25H24N4O2/c1-18-8-4-7-11-23(18)31-17-24-27-22-10-6-5-9-21(22)25(30)29(24)26-16-19-12-14-20(15-13-19)28(2)3/h4-16H,17H2,1-3H3/b26-16+
InChIKeyFMFGONSADNJHQB-WGOQTCKBSA-N
XLogP4.23
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,4-dihydroxyphenyl)methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 1388574
3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 135549874
2-[(2-methylphenoxy)methyl]-3-[(E)-thiophen-2-ylmethylideneamino]quinazolin-4-one
CID 6901031
3-[(E)-1H-indol-3-ylmethylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 135517049
3-[[4-(dimethylamino)-2-phenylmethoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126409625
3-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one;3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one
CID 67601940
2-[4-[(Z)-[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-4-oxoquinazolin-3-yl]iminomethyl]phenoxy]acetic acid
CID 27046549
3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one
CID 29456276
3-[(E)-benzylideneamino]-2-(bromomethyl)quinazolin-4-one
CID 25197636
3-[(E)-furan-2-ylmethylideneamino]-2-(naphthalen-1-yloxymethyl)quinazolin-4-one
CID 44822286
3-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(phenoxymethyl)quinazolin-4-one
CID 136877458
3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylphenyl)quinazolin-4-one
CID 135519203

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one?
The IUPAC name of 3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one (CID 6863529) is 3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one.
What is the SMILES notation for 3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one?
The canonical SMILES for 3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one is Cc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1ccc(N(C)C)cc1.
What is the InChIKey of 3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one?
The InChIKey is FMFGONSADNJHQB-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-18-8-4-7-11-23(18)31-17-24-27-22-10-6-5-9-21(22)25(30)29(24)26-16-19-12-14-20(15-13-19)28(2)3/h4-16H,17H2,1-3H3/b26-16+.
What are the key properties of 3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one?
3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one has a molecular weight of 412.49 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one is sourced from PubChem (CID 6863529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).