4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methoxy-7-(2-methoxyethoxy)quinazoline

C20H21BrFN3O3 — CID 67651751

IUPAC4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methoxy-7-(2-methoxyethoxy)quinazoline
SMILESCOCCOc1cc2ncnc(N3CCC4=CCC(F)(Br)C=C43)c2cc1OC
InChIInChI=1S/C20H21BrFN3O3/c1-26-7-8-28-18-10-15-14(9-17(18)27-2)19(24-12-23-15)25-6-4-13-3-5-20(21,22)11-16(13)25/h3,9-12H,4-8H2,1-2H3
InChIKeyBKOBHZAWVXCWTI-UHFFFAOYSA-N
MW450.31 g/mol
LogP4.15
Rot. Bonds6

About 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methoxy-7-(2-methoxyethoxy)quinazoline

4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methoxy-7-(2-methoxyethoxy)quinazoline (PubChem CID 67651751) has the molecular formula C20H21BrFN3O3 and a molecular weight of 450.31 g/mol. Its IUPAC name is 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methoxy-7-(2-methoxyethoxy)quinazoline.

Molecular Properties

Compound Name4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methoxy-7-(2-methoxyethoxy)quinazoline
PubChem CID67651751
Molecular FormulaC20H21BrFN3O3
Molecular Weight450.31 g/mol
Exact Mass449.08
IUPAC Name4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methoxy-7-(2-methoxyethoxy)quinazoline
SMILESCOCCOc1cc2ncnc(N3CCC4=CCC(F)(Br)C=C43)c2cc1OC
InChIInChI=1S/C20H21BrFN3O3/c1-26-7-8-28-18-10-15-14(9-17(18)27-2)19(24-12-23-15)25-6-4-13-3-5-20(21,22)11-16(13)25/h3,9-12H,4-8H2,1-2H3
InChIKeyBKOBHZAWVXCWTI-UHFFFAOYSA-N
XLogP4.15
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6,7-bis(2-methoxyethoxy)quinazoline
CID 67650904
4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methylpyrido[3,4-d]pyrimidine
CID 70155256
4-(6-bromo-6-fluoro-3,7-dihydro-2H-indol-1-yl)-6,7-bis(2-methoxyethoxy)quinazoline;hydrochloride
CID 67650901
4-(6-bromo-5-fluoro-2,3-dihydroindol-1-yl)-6-methoxy-7-(2-methoxyethoxy)quinazoline
CID 67759960
6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine
CID 149497994
1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindol-6-amine
CID 54313644
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
N-(4-cyanophenyl)-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide
CID 10344304
4-(5-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline
CID 18932856
2-amino-3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]cyclohexa-2,5-diene-1,4-dione
CID 69325622
4-(3,4-dihydro-2H-quinolin-1-yl)-6,7-dimethoxyquinazoline;hydrochloride
CID 18770804
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methoxy-7-(2-methoxyethoxy)quinazoline?
The IUPAC name of 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methoxy-7-(2-methoxyethoxy)quinazoline (CID 67651751) is 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methoxy-7-(2-methoxyethoxy)quinazoline.
What is the SMILES notation for 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methoxy-7-(2-methoxyethoxy)quinazoline?
The canonical SMILES for 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methoxy-7-(2-methoxyethoxy)quinazoline is COCCOc1cc2ncnc(N3CCC4=CCC(F)(Br)C=C43)c2cc1OC.
What is the InChIKey of 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methoxy-7-(2-methoxyethoxy)quinazoline?
The InChIKey is BKOBHZAWVXCWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrFN3O3/c1-26-7-8-28-18-10-15-14(9-17(18)27-2)19(24-12-23-15)25-6-4-13-3-5-20(21,22)11-16(13)25/h3,9-12H,4-8H2,1-2H3.
What are the key properties of 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methoxy-7-(2-methoxyethoxy)quinazoline?
4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methoxy-7-(2-methoxyethoxy)quinazoline has a molecular weight of 450.31 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6-methoxy-7-(2-methoxyethoxy)quinazoline is sourced from PubChem (CID 67651751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).