3-[(E)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-2-propylquinazolin-4-one

C22H18BrN3O2 — CID 135650599

IUPAC3-[(E)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-2-propylquinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1/N=C/c1c(O)ccc2cc(Br)ccc12
InChIInChI=1S/C22H18BrN3O2/c1-2-5-21-25-19-7-4-3-6-17(19)22(28)26(21)24-13-18-16-10-9-15(23)12-14(16)8-11-20(18)27/h3-4,6-13,27H,2,5H2,1H3/b24-13+
InChIKeyNTPWASRDBUMPSE-ZMOGYAJESA-N
MW436.31 g/mol
LogP4.85
Rot. Bonds4

About 3-[(E)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-2-propylquinazolin-4-one

3-[(E)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-2-propylquinazolin-4-one (PubChem CID 135650599) has the molecular formula C22H18BrN3O2 and a molecular weight of 436.31 g/mol. Its IUPAC name is 3-[(E)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-2-propylquinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-2-propylquinazolin-4-one
PubChem CID135650599
Molecular FormulaC22H18BrN3O2
Molecular Weight436.31 g/mol
Exact Mass435.06
IUPAC Name3-[(E)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-2-propylquinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1/N=C/c1c(O)ccc2cc(Br)ccc12
InChIInChI=1S/C22H18BrN3O2/c1-2-5-21-25-19-7-4-3-6-17(19)22(28)26(21)24-13-18-16-10-9-15(23)12-14(16)8-11-20(18)27/h3-4,6-13,27H,2,5H2,1H3/b24-13+
InChIKeyNTPWASRDBUMPSE-ZMOGYAJESA-N
XLogP4.85
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.31
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one
CID 136736825
6-bromo-3-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-propylquinazolin-4-one
CID 126331068
3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-propylquinazolin-4-one
CID 936802
6-bromo-3-[(5-methylthiophen-2-yl)methylideneamino]-2-propylquinazolin-4-one
CID 126319220
3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[(1-phenylethenylamino)oxymethyl]quinazolin-4-one
CID 135851926
2-[3-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]indol-1-yl]acetamide
CID 126326941
6-bromo-3-[(1-phenylpyrrol-2-yl)methylideneamino]-2-propylquinazolin-4-one
CID 126320801
3-[(E)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-6,7-dimethoxy-2-methylquinazolin-4-one
CID 135821827
6-bromo-3-[(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-2-propylquinazolin-4-one
CID 126317825
6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-propylquinazolin-4-one
CID 126328161
6-bromo-3-[(2-bromophenyl)methylideneamino]-2-butylquinazolin-4-one
CID 126329972
2-propyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one
CID 1387491

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-2-propylquinazolin-4-one?
The IUPAC name of 3-[(E)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-2-propylquinazolin-4-one (CID 135650599) is 3-[(E)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-2-propylquinazolin-4-one.
What is the SMILES notation for 3-[(E)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-2-propylquinazolin-4-one?
The canonical SMILES for 3-[(E)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-2-propylquinazolin-4-one is CCCc1nc2ccccc2c(=O)n1/N=C/c1c(O)ccc2cc(Br)ccc12.
What is the InChIKey of 3-[(E)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-2-propylquinazolin-4-one?
The InChIKey is NTPWASRDBUMPSE-ZMOGYAJESA-N. The full InChI is InChI=1S/C22H18BrN3O2/c1-2-5-21-25-19-7-4-3-6-17(19)22(28)26(21)24-13-18-16-10-9-15(23)12-14(16)8-11-20(18)27/h3-4,6-13,27H,2,5H2,1H3/b24-13+.
What are the key properties of 3-[(E)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-2-propylquinazolin-4-one?
3-[(E)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-2-propylquinazolin-4-one has a molecular weight of 436.31 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-2-propylquinazolin-4-one is sourced from PubChem (CID 135650599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).