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

C22H25BrFN3O4 — CID 67650904

IUPAC4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6,7-bis(2-methoxyethoxy)quinazoline
SMILESCOCCOc1cc2ncnc(N3CCC4=CCC(F)(Br)C=C43)c2cc1OCCOC
InChIInChI=1S/C22H25BrFN3O4/c1-28-7-9-30-19-11-16-17(12-20(19)31-10-8-29-2)25-14-26-21(16)27-6-4-15-3-5-22(23,24)13-18(15)27/h3,11-14H,4-10H2,1-2H3
InChIKeyUSWPOHPLEDEMBO-UHFFFAOYSA-N
MW494.36 g/mol
LogP4.16
Rot. Bonds9

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

4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6,7-bis(2-methoxyethoxy)quinazoline (PubChem CID 67650904) has the molecular formula C22H25BrFN3O4 and a molecular weight of 494.36 g/mol. Its IUPAC name is 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6,7-bis(2-methoxyethoxy)quinazoline.

Molecular Properties

Compound Name4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6,7-bis(2-methoxyethoxy)quinazoline
PubChem CID67650904
Molecular FormulaC22H25BrFN3O4
Molecular Weight494.36 g/mol
Exact Mass493.10
IUPAC Name4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6,7-bis(2-methoxyethoxy)quinazoline
SMILESCOCCOc1cc2ncnc(N3CCC4=CCC(F)(Br)C=C43)c2cc1OCCOC
InChIInChI=1S/C22H25BrFN3O4/c1-28-7-9-30-19-11-16-17(12-20(19)31-10-8-29-2)25-14-26-21(16)27-6-4-15-3-5-22(23,24)13-18(15)27/h3,11-14H,4-10H2,1-2H3
InChIKeyUSWPOHPLEDEMBO-UHFFFAOYSA-N
XLogP4.16
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-methoxy-7-(2-methoxyethoxy)quinazoline
CID 67651751
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
4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 10166902
N-(4-cyanophenyl)-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide
CID 10344304
4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine
CID 171420006
1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindol-6-amine
CID 54313644
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

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6,7-bis(2-methoxyethoxy)quinazoline?
The IUPAC name of 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6,7-bis(2-methoxyethoxy)quinazoline (CID 67650904) is 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6,7-bis(2-methoxyethoxy)quinazoline.
What is the SMILES notation for 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6,7-bis(2-methoxyethoxy)quinazoline?
The canonical SMILES for 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6,7-bis(2-methoxyethoxy)quinazoline is COCCOc1cc2ncnc(N3CCC4=CCC(F)(Br)C=C43)c2cc1OCCOC.
What is the InChIKey of 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6,7-bis(2-methoxyethoxy)quinazoline?
The InChIKey is USWPOHPLEDEMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrFN3O4/c1-28-7-9-30-19-11-16-17(12-20(19)31-10-8-29-2)25-14-26-21(16)27-6-4-15-3-5-22(23,24)13-18(15)27/h3,11-14H,4-10H2,1-2H3.
What are the key properties of 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6,7-bis(2-methoxyethoxy)quinazoline?
4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6,7-bis(2-methoxyethoxy)quinazoline has a molecular weight of 494.36 g/mol, XLogP of 4.16, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-6-fluoro-3,5-dihydro-2H-indol-1-yl)-6,7-bis(2-methoxyethoxy)quinazoline is sourced from PubChem (CID 67650904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).