2-chloro-4-fluoro-5-[[7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol

C17H15ClFN3O3 — CID 21260277

IUPAC2-chloro-4-fluoro-5-[[7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol
SMILESCOCCOc1ccc2c(Nc3cc(O)c(Cl)cc3F)ncnc2c1
InChIInChI=1S/C17H15ClFN3O3/c1-24-4-5-25-10-2-3-11-14(6-10)20-9-21-17(11)22-15-8-16(23)12(18)7-13(15)19/h2-3,6-9,23H,4-5H2,1H3,(H,20,21,22)
InChIKeyBIKCGYWZXMEPEQ-UHFFFAOYSA-N
MW363.78 g/mol
LogP3.90
Rot. Bonds6

About 2-chloro-4-fluoro-5-[[7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol

2-chloro-4-fluoro-5-[[7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol (PubChem CID 21260277) has the molecular formula C17H15ClFN3O3 and a molecular weight of 363.78 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-[[7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-[[7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol
PubChem CID21260277
Molecular FormulaC17H15ClFN3O3
Molecular Weight363.78 g/mol
Exact Mass363.08
IUPAC Name2-chloro-4-fluoro-5-[[7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol
SMILESCOCCOc1ccc2c(Nc3cc(O)c(Cl)cc3F)ncnc2c1
InChIInChI=1S/C17H15ClFN3O3/c1-24-4-5-25-10-2-3-11-14(6-10)20-9-21-17(11)22-15-8-16(23)12(18)7-13(15)19/h2-3,6-9,23H,4-5H2,1H3,(H,20,21,22)
InChIKeyBIKCGYWZXMEPEQ-UHFFFAOYSA-N
XLogP3.90
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 53.90
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-5-[[7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol?
The IUPAC name of 2-chloro-4-fluoro-5-[[7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol (CID 21260277) is 2-chloro-4-fluoro-5-[[7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol.
What is the SMILES notation for 2-chloro-4-fluoro-5-[[7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol?
The canonical SMILES for 2-chloro-4-fluoro-5-[[7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol is COCCOc1ccc2c(Nc3cc(O)c(Cl)cc3F)ncnc2c1.
What is the InChIKey of 2-chloro-4-fluoro-5-[[7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol?
The InChIKey is BIKCGYWZXMEPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O3/c1-24-4-5-25-10-2-3-11-14(6-10)20-9-21-17(11)22-15-8-16(23)12(18)7-13(15)19/h2-3,6-9,23H,4-5H2,1H3,(H,20,21,22).
What are the key properties of 2-chloro-4-fluoro-5-[[7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol?
2-chloro-4-fluoro-5-[[7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol has a molecular weight of 363.78 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-[[7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenol is sourced from PubChem (CID 21260277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).