1-(4-bromo-2-fluorophenyl)-1-[6-methoxy-7-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-yl]hydrazine

C23H17BrF4N4O2 — CID 118884446

IUPAC1-(4-bromo-2-fluorophenyl)-1-[6-methoxy-7-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-yl]hydrazine
SMILESCOc1cc2c(N(N)c3ccc(Br)cc3F)ncnc2cc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H17BrF4N4O2/c1-33-20-9-16-18(10-21(20)34-11-13-2-4-14(5-3-13)23(26,27)28)30-12-31-22(16)32(29)19-7-6-15(24)8-17(19)25/h2-10,12H,11,29H2,1H3
InChIKeyLDYFRLWJDWMHFH-UHFFFAOYSA-N
MW537.31 g/mol
LogP6.15
Rot. Bonds6

About 1-(4-bromo-2-fluorophenyl)-1-[6-methoxy-7-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-yl]hydrazine

1-(4-bromo-2-fluorophenyl)-1-[6-methoxy-7-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-yl]hydrazine (PubChem CID 118884446) has the molecular formula C23H17BrF4N4O2 and a molecular weight of 537.31 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-1-[6-methoxy-7-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-yl]hydrazine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-1-[6-methoxy-7-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-yl]hydrazine
PubChem CID118884446
Molecular FormulaC23H17BrF4N4O2
Molecular Weight537.31 g/mol
Exact Mass536.05
IUPAC Name1-(4-bromo-2-fluorophenyl)-1-[6-methoxy-7-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-yl]hydrazine
SMILESCOc1cc2c(N(N)c3ccc(Br)cc3F)ncnc2cc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H17BrF4N4O2/c1-33-20-9-16-18(10-21(20)34-11-13-2-4-14(5-3-13)23(26,27)28)30-12-31-22(16)32(29)19-7-6-15(24)8-17(19)25/h2-10,12H,11,29H2,1H3
InChIKeyLDYFRLWJDWMHFH-UHFFFAOYSA-N
XLogP6.15
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.31
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Vandetanib
CID 3081361
PD-153035
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Zd-4190
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Jnj-26483327
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CID 2857
N-(4-bromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 1474852
Src Kinase Inhibitor I
CID 1474853
PD-153035 hydrochloride
CID 11246488
Ebe-A22
CID 5328227
N-Desmethyl vandetanib
CID 5329048
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-{[(3R)-1-methylpiperidin-3-yl]methoxy}quinazolin-4-amine
CID 5329056
11N-112
CID 1474883

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-1-[6-methoxy-7-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-yl]hydrazine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-1-[6-methoxy-7-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-yl]hydrazine (CID 118884446) is 1-(4-bromo-2-fluorophenyl)-1-[6-methoxy-7-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-yl]hydrazine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-1-[6-methoxy-7-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-yl]hydrazine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-1-[6-methoxy-7-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-yl]hydrazine is COc1cc2c(N(N)c3ccc(Br)cc3F)ncnc2cc1OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-1-[6-methoxy-7-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-yl]hydrazine?
The InChIKey is LDYFRLWJDWMHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrF4N4O2/c1-33-20-9-16-18(10-21(20)34-11-13-2-4-14(5-3-13)23(26,27)28)30-12-31-22(16)32(29)19-7-6-15(24)8-17(19)25/h2-10,12H,11,29H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-1-[6-methoxy-7-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-yl]hydrazine?
1-(4-bromo-2-fluorophenyl)-1-[6-methoxy-7-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-yl]hydrazine has a molecular weight of 537.31 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-1-[6-methoxy-7-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-yl]hydrazine is sourced from PubChem (CID 118884446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).