6-bromo-2-ethyl-3-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinazolin-4-one

C18H16BrN3O2 — CID 126298884

IUPAC6-bromo-2-ethyl-3-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinazolin-4-one
SMILESCCc1nc2ccc(Br)cc2c(=O)n1N=C/C(C)=C/c1ccco1
InChIInChI=1S/C18H16BrN3O2/c1-3-17-21-16-7-6-13(19)10-15(16)18(23)22(17)20-11-12(2)9-14-5-4-8-24-14/h4-11H,3H2,1-2H3/b12-9+,20-11?
InChIKeyFZISANSQQXFXIH-QKEQRFSHSA-N
MW386.25 g/mol
LogP4.25
Rot. Bonds4

About 6-bromo-2-ethyl-3-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinazolin-4-one

6-bromo-2-ethyl-3-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinazolin-4-one (PubChem CID 126298884) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 6-bromo-2-ethyl-3-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-2-ethyl-3-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinazolin-4-one
PubChem CID126298884
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name6-bromo-2-ethyl-3-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinazolin-4-one
SMILESCCc1nc2ccc(Br)cc2c(=O)n1N=C/C(C)=C/c1ccco1
InChIInChI=1S/C18H16BrN3O2/c1-3-17-21-16-7-6-13(19)10-15(16)18(23)22(17)20-11-12(2)9-14-5-4-8-24-14/h4-11H,3H2,1-2H3/b12-9+,20-11?
InChIKeyFZISANSQQXFXIH-QKEQRFSHSA-N
XLogP4.25
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.25
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-[5-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]furan-2-yl]benzoic acid
CID 126302722
6-bromo-2-ethyl-3-[(4-iodophenyl)methylideneamino]quinazolin-4-one
CID 126311780
6-bromo-2-ethyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one
CID 126294577
6-bromo-2-ethyl-3-[(4-prop-2-enoxyphenyl)methylideneamino]quinazolin-4-one
CID 126310407
6-bromo-2-ethyl-3-[(2-prop-2-enoxyphenyl)methylideneamino]quinazolin-4-one
CID 126306350
2-[2-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile
CID 126297062
(2R)-2-[3-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]propanoic acid
CID 126306308
6-bromo-3-[(3-ethoxyphenyl)methylideneamino]-2-ethylquinazolin-4-one
CID 126287570
6-bromo-2-ethyl-3-[(3-methoxy-2-propan-2-yloxyphenyl)methylideneamino]quinazolin-4-one
CID 126287558
6-bromo-3-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-2-ethylquinazolin-4-one
CID 126304155
6-bromo-3-[[2,5-dimethyl-1-(4-propan-2-yloxyphenyl)pyrrol-3-yl]methylideneamino]-2-ethylquinazolin-4-one
CID 126301805
6-bromo-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-ethylquinazolin-4-one
CID 126282492

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-3-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinazolin-4-one?
The IUPAC name of 6-bromo-2-ethyl-3-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinazolin-4-one (CID 126298884) is 6-bromo-2-ethyl-3-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinazolin-4-one.
What is the SMILES notation for 6-bromo-2-ethyl-3-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinazolin-4-one?
The canonical SMILES for 6-bromo-2-ethyl-3-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinazolin-4-one is CCc1nc2ccc(Br)cc2c(=O)n1N=C/C(C)=C/c1ccco1.
What is the InChIKey of 6-bromo-2-ethyl-3-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinazolin-4-one?
The InChIKey is FZISANSQQXFXIH-QKEQRFSHSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-3-17-21-16-7-6-13(19)10-15(16)18(23)22(17)20-11-12(2)9-14-5-4-8-24-14/h4-11H,3H2,1-2H3/b12-9+,20-11?.
What are the key properties of 6-bromo-2-ethyl-3-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinazolin-4-one?
6-bromo-2-ethyl-3-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinazolin-4-one has a molecular weight of 386.25 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-3-[[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]quinazolin-4-one is sourced from PubChem (CID 126298884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).