3-[(3-methylfuran-2-yl)methylideneamino]-2-phenylquinazolin-4-one

C20H15N3O2 — CID 5115868

IUPAC3-[(3-methylfuran-2-yl)methylideneamino]-2-phenylquinazolin-4-one
SMILESCc1ccoc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C20H15N3O2/c1-14-11-12-25-18(14)13-21-23-19(15-7-3-2-4-8-15)22-17-10-6-5-9-16(17)20(23)24/h2-13H,1H3
InChIKeyHAYLIZIGEBXLLX-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.85
Rot. Bonds3

About 3-[(3-methylfuran-2-yl)methylideneamino]-2-phenylquinazolin-4-one

3-[(3-methylfuran-2-yl)methylideneamino]-2-phenylquinazolin-4-one (PubChem CID 5115868) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-[(3-methylfuran-2-yl)methylideneamino]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[(3-methylfuran-2-yl)methylideneamino]-2-phenylquinazolin-4-one
PubChem CID5115868
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name3-[(3-methylfuran-2-yl)methylideneamino]-2-phenylquinazolin-4-one
SMILESCc1ccoc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C20H15N3O2/c1-14-11-12-25-18(14)13-21-23-19(15-7-3-2-4-8-15)22-17-10-6-5-9-16(17)20(23)24/h2-13H,1H3
InChIKeyHAYLIZIGEBXLLX-UHFFFAOYSA-N
XLogP3.85
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.85
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-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126288265
2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one
CID 4025421
3-(cinnamylideneamino)-2-phenylquinazolin-4-one
CID 4019443
3-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one;3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one
CID 67601940
3-[(E)-anthracen-9-ylmethylideneamino]-2-(furan-2-yl)quinazolin-4-one
CID 53306078
3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one;3-[(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 67601435
6-bromo-2-methyl-3-[(3-methylfuran-2-yl)methylideneamino]quinazolin-4-one
CID 126308490
3-[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-6-yl)methylideneamino]-2-phenylquinazolin-4-one
CID 139237748
3-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 126405181
3-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126405167
2-phenyl-3-[(5-phenylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one
CID 3886243
2-phenyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one
CID 3949629

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylfuran-2-yl)methylideneamino]-2-phenylquinazolin-4-one?
The IUPAC name of 3-[(3-methylfuran-2-yl)methylideneamino]-2-phenylquinazolin-4-one (CID 5115868) is 3-[(3-methylfuran-2-yl)methylideneamino]-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[(3-methylfuran-2-yl)methylideneamino]-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[(3-methylfuran-2-yl)methylideneamino]-2-phenylquinazolin-4-one is Cc1ccoc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 3-[(3-methylfuran-2-yl)methylideneamino]-2-phenylquinazolin-4-one?
The InChIKey is HAYLIZIGEBXLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-14-11-12-25-18(14)13-21-23-19(15-7-3-2-4-8-15)22-17-10-6-5-9-16(17)20(23)24/h2-13H,1H3.
What are the key properties of 3-[(3-methylfuran-2-yl)methylideneamino]-2-phenylquinazolin-4-one?
3-[(3-methylfuran-2-yl)methylideneamino]-2-phenylquinazolin-4-one has a molecular weight of 329.36 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylfuran-2-yl)methylideneamino]-2-phenylquinazolin-4-one is sourced from PubChem (CID 5115868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).