5-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypentanamide;ethane

C24H32BrFN4O3 — CID 145016655

IUPAC5-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypentanamide;ethane
SMILESCC.CC.COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCCCC(N)=O
InChIInChI=1S/C20H20BrFN4O3.2C2H6/c1-28-17-9-13-16(10-18(17)29-7-3-2-4-19(23)27)24-11-25-20(13)26-15-6-5-12(21)8-14(15)22;2*1-2/h5-6,8-11H,2-4,7H2,1H3,(H2,23,27)(H,24,25,26);2*1-2H3
InChIKeyUWPHFZOHDIEKDQ-UHFFFAOYSA-N
MW523.45 g/mol
LogP6.37
Rot. Bonds9

About 5-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypentanamide;ethane

5-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypentanamide;ethane (PubChem CID 145016655) has the molecular formula C24H32BrFN4O3 and a molecular weight of 523.45 g/mol. Its IUPAC name is 5-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypentanamide;ethane.

Molecular Properties

Compound Name5-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypentanamide;ethane
PubChem CID145016655
Molecular FormulaC24H32BrFN4O3
Molecular Weight523.45 g/mol
Exact Mass522.16
IUPAC Name5-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypentanamide;ethane
SMILESCC.CC.COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCCCC(N)=O
InChIInChI=1S/C20H20BrFN4O3.2C2H6/c1-28-17-9-13-16(10-18(17)29-7-3-2-4-19(23)27)24-11-25-20(13)26-15-6-5-12(21)8-14(15)22;2*1-2/h5-6,8-11H,2-4,7H2,1H3,(H2,23,27)(H,24,25,26);2*1-2H3
InChIKeyUWPHFZOHDIEKDQ-UHFFFAOYSA-N
XLogP6.37
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.45
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10906322
3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide
CID 130310905
N-(4-bromo-2-fluorophenyl)-7-butoxy-6-methoxyquinazolin-4-amine;N,N-dimethylmethanamine
CID 157222571
6-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyhexanamide
CID 127028037
7-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide
CID 127028038
7-[4-[2-fluoro-4-methyl-3-(2-methylprop-1-enyl)anilino]-6-methoxyquinazolin-7-yl]oxyheptanamide
CID 143778160
ethyl 4-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxybutanoate
CID 22478301
4-N-(4-bromo-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine
CID 90746816
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[2-(1,2,4-triazol-1-yl)ethoxy]quinazolin-4-amine;hydrochloride
CID 22625057
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(6-methyl-2-pyridinyl)methoxy]quinazolin-4-amine
CID 118884409
N-(4-chloro-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10982156
6-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propoxy]-N-(4-bromo-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 71573152

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypentanamide;ethane?
The IUPAC name of 5-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypentanamide;ethane (CID 145016655) is 5-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypentanamide;ethane.
What is the SMILES notation for 5-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypentanamide;ethane?
The canonical SMILES for 5-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypentanamide;ethane is CC.CC.COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCCCC(N)=O.
What is the InChIKey of 5-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypentanamide;ethane?
The InChIKey is UWPHFZOHDIEKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrFN4O3.2C2H6/c1-28-17-9-13-16(10-18(17)29-7-3-2-4-19(23)27)24-11-25-20(13)26-15-6-5-12(21)8-14(15)22;2*1-2/h5-6,8-11H,2-4,7H2,1H3,(H2,23,27)(H,24,25,26);2*1-2H3.
What are the key properties of 5-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypentanamide;ethane?
5-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypentanamide;ethane has a molecular weight of 523.45 g/mol, XLogP of 6.37, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypentanamide;ethane is sourced from PubChem (CID 145016655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).