[3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite;hydrochloride

C22H19ClFN5O3 — CID 139836434

IUPAC[3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite;hydrochloride
SMILESCOc1cc2c(-c3c[nH]c4cc(OF)ccc34)ncnc2cc1OCCn1ccnc1.Cl
InChIInChI=1S/C22H18FN5O3.ClH/c1-29-20-9-16-19(10-21(20)30-7-6-28-5-4-24-13-28)26-12-27-22(16)17-11-25-18-8-14(31-23)2-3-15(17)18;/h2-5,8-13,25H,6-7H2,1H3;1H
InChIKeyARXFYSDOMJQYEM-UHFFFAOYSA-N
MW455.88 g/mol
LogP4.75
Rot. Bonds7

About [3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite;hydrochloride

[3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite;hydrochloride (PubChem CID 139836434) has the molecular formula C22H19ClFN5O3 and a molecular weight of 455.88 g/mol. Its IUPAC name is [3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite;hydrochloride.

Molecular Properties

Compound Name[3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite;hydrochloride
PubChem CID139836434
Molecular FormulaC22H19ClFN5O3
Molecular Weight455.88 g/mol
Exact Mass455.12
IUPAC Name[3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite;hydrochloride
SMILESCOc1cc2c(-c3c[nH]c4cc(OF)ccc34)ncnc2cc1OCCn1ccnc1.Cl
InChIInChI=1S/C22H18FN5O3.ClH/c1-29-20-9-16-19(10-21(20)30-7-6-28-5-4-24-13-28)26-12-27-22(16)17-11-25-18-8-14(31-23)2-3-15(17)18;/h2-5,8-13,25H,6-7H2,1H3;1H
InChIKeyARXFYSDOMJQYEM-UHFFFAOYSA-N
XLogP4.75
TPSA87.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.88
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2-imidazol-1-ylethoxy)-6-methoxy-3H-quinazolin-4-one
CID 135490844
6-methoxy-4-(3-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-7-[2-(triazol-1-yl)ethoxy]quinazoline
CID 57239695
5-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-2-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
CID 70245548
N-(3-chloro-4-fluorophenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxyquinazolin-4-amine
CID 129239945
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
6-methoxy-7-(2-pyrrol-1-ylethoxy)-3H-quinazolin-4-one
CID 135442261
acetic acid;3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 10239640
N-(3-ethynylphenyl)-7-(2-imidazol-1-ylethoxy)-6-(2-methoxyethoxy)quinazolin-4-amine
CID 18925101
7-(2-chloroethoxy)-6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazoline
CID 59682910
2-[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]ethanamine
CID 54931279
1-[2-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenoxy]ethyl]imidazole
CID 99926038
1-[4-[2-[6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxyethyl]piperazin-1-yl]propan-2-one
CID 11352302

Frequently Asked Questions

What is the IUPAC name of [3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite;hydrochloride?
The IUPAC name of [3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite;hydrochloride (CID 139836434) is [3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite;hydrochloride.
What is the SMILES notation for [3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite;hydrochloride?
The canonical SMILES for [3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite;hydrochloride is COc1cc2c(-c3c[nH]c4cc(OF)ccc34)ncnc2cc1OCCn1ccnc1.Cl.
What is the InChIKey of [3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite;hydrochloride?
The InChIKey is ARXFYSDOMJQYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O3.ClH/c1-29-20-9-16-19(10-21(20)30-7-6-28-5-4-24-13-28)26-12-27-22(16)17-11-25-18-8-14(31-23)2-3-15(17)18;/h2-5,8-13,25H,6-7H2,1H3;1H.
What are the key properties of [3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite;hydrochloride?
[3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite;hydrochloride has a molecular weight of 455.88 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite;hydrochloride is sourced from PubChem (CID 139836434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).