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

C22H18FN5O3 — CID 57153790

IUPAC[3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite
SMILESCOc1cc2c(-c3c[nH]c4cc(OF)ccc34)ncnc2cc1OCCn1ccnc1
InChIInChI=1S/C22H18FN5O3/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
InChIKeyPFOCPUFDPCGEBC-UHFFFAOYSA-N
MW419.42 g/mol
LogP4.33
Rot. Bonds7

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

[3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite (PubChem CID 57153790) has the molecular formula C22H18FN5O3 and a molecular weight of 419.42 g/mol. Its IUPAC name is [3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite.

Molecular Properties

Compound Name[3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite
PubChem CID57153790
Molecular FormulaC22H18FN5O3
Molecular Weight419.42 g/mol
Exact Mass419.14
IUPAC Name[3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite
SMILESCOc1cc2c(-c3c[nH]c4cc(OF)ccc34)ncnc2cc1OCCn1ccnc1
InChIInChI=1S/C22H18FN5O3/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
InChIKeyPFOCPUFDPCGEBC-UHFFFAOYSA-N
XLogP4.33
TPSA87.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
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CID 5329025
6-methoxy-N-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
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6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330172
N-(1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330185
N-(3-chloro-1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330186
N-(1,3-benzodioxol-5-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330192

Frequently Asked Questions

What is the IUPAC name of [3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite?
The IUPAC name of [3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite (CID 57153790) is [3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite.
What is the SMILES notation for [3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite?
The canonical SMILES for [3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite is COc1cc2c(-c3c[nH]c4cc(OF)ccc34)ncnc2cc1OCCn1ccnc1.
What is the InChIKey of [3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite?
The InChIKey is PFOCPUFDPCGEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O3/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.
What are the key properties of [3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite?
[3-[7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-yl]-1H-indol-6-yl] hypofluorite has a molecular weight of 419.42 g/mol, XLogP of 4.33, 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 is sourced from PubChem (CID 57153790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).