6-bromo-3-[[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-propylquinazolin-4-one

C26H22Br2FN3O3 — CID 126327522

IUPAC6-bromo-3-[[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-propylquinazolin-4-one
SMILESCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCc1ccc(F)cc1
InChIInChI=1S/C26H22Br2FN3O3/c1-3-4-24-31-22-10-7-18(27)12-21(22)26(33)32(24)30-14-17-11-19(28)13-23(34-2)25(17)35-15-16-5-8-20(29)9-6-16/h5-14H,3-4,15H2,1-2H3
InChIKeyHIPBCZVOXAVJGE-UHFFFAOYSA-N
MW603.29 g/mol
LogP6.48
Rot. Bonds8

About 6-bromo-3-[[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-propylquinazolin-4-one

6-bromo-3-[[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-propylquinazolin-4-one (PubChem CID 126327522) has the molecular formula C26H22Br2FN3O3 and a molecular weight of 603.29 g/mol. Its IUPAC name is 6-bromo-3-[[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-propylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-propylquinazolin-4-one
PubChem CID126327522
Molecular FormulaC26H22Br2FN3O3
Molecular Weight603.29 g/mol
Exact Mass601.00
IUPAC Name6-bromo-3-[[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-propylquinazolin-4-one
SMILESCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCc1ccc(F)cc1
InChIInChI=1S/C26H22Br2FN3O3/c1-3-4-24-31-22-10-7-18(27)12-21(22)26(33)32(24)30-14-17-11-19(28)13-23(34-2)25(17)35-15-16-5-8-20(29)9-6-16/h5-14H,3-4,15H2,1-2H3
InChIKeyHIPBCZVOXAVJGE-UHFFFAOYSA-N
XLogP6.48
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.29
LogP ≤ 56.48
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

6-bromo-3-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-propylquinazolin-4-one
CID 126333622
6-bromo-3-[[5-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-butylquinazolin-4-one
CID 126325297
6-bromo-3-[[4-[(4-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-propylquinazolin-4-one
CID 126282691
6-bromo-3-[[5-bromo-2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-ethylquinazolin-4-one
CID 126310595
6-bromo-3-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-propylquinazolin-4-one
CID 126324755
6-bromo-3-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-propylquinazolin-4-one
CID 126331068
6-bromo-2-butyl-3-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]quinazolin-4-one
CID 126330459
6-bromo-2-butyl-3-[[5-chloro-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]quinazolin-4-one
CID 126323720
6-bromo-3-[[4-[(4-fluorophenyl)methoxy]-3-iodophenyl]methylideneamino]-2-propylquinazolin-4-one
CID 126330265
6-bromo-3-[[3-bromo-5-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-propylquinazolin-4-one
CID 126343651
6-bromo-3-[(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-propylquinazolin-4-one
CID 126308173
6-bromo-3-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-propylquinazolin-4-one
CID 126342014

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-propylquinazolin-4-one?
The IUPAC name of 6-bromo-3-[[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-propylquinazolin-4-one (CID 126327522) is 6-bromo-3-[[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-propylquinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-propylquinazolin-4-one?
The canonical SMILES for 6-bromo-3-[[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-propylquinazolin-4-one is CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCc1ccc(F)cc1.
What is the InChIKey of 6-bromo-3-[[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-propylquinazolin-4-one?
The InChIKey is HIPBCZVOXAVJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Br2FN3O3/c1-3-4-24-31-22-10-7-18(27)12-21(22)26(33)32(24)30-14-17-11-19(28)13-23(34-2)25(17)35-15-16-5-8-20(29)9-6-16/h5-14H,3-4,15H2,1-2H3.
What are the key properties of 6-bromo-3-[[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-propylquinazolin-4-one?
6-bromo-3-[[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-propylquinazolin-4-one has a molecular weight of 603.29 g/mol, XLogP of 6.48, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-propylquinazolin-4-one is sourced from PubChem (CID 126327522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).