4-(6-fluoro-5-methyl-1H-indol-3-yl)-6,7-dimethoxyquinazoline

C19H16FN3O2 — CID 24970496

IUPAC4-(6-fluoro-5-methyl-1H-indol-3-yl)-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(-c3c[nH]c4cc(F)c(C)cc34)c2cc1OC
InChIInChI=1S/C19H16FN3O2/c1-10-4-11-13(8-21-15(11)6-14(10)20)19-12-5-17(24-2)18(25-3)7-16(12)22-9-23-19/h4-9,21H,1-3H3
InChIKeyQDHLJTKZOXNREZ-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.24
Rot. Bonds3

About 4-(6-fluoro-5-methyl-1H-indol-3-yl)-6,7-dimethoxyquinazoline

4-(6-fluoro-5-methyl-1H-indol-3-yl)-6,7-dimethoxyquinazoline (PubChem CID 24970496) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 4-(6-fluoro-5-methyl-1H-indol-3-yl)-6,7-dimethoxyquinazoline.

Molecular Properties

Compound Name4-(6-fluoro-5-methyl-1H-indol-3-yl)-6,7-dimethoxyquinazoline
PubChem CID24970496
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name4-(6-fluoro-5-methyl-1H-indol-3-yl)-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(-c3c[nH]c4cc(F)c(C)cc34)c2cc1OC
InChIInChI=1S/C19H16FN3O2/c1-10-4-11-13(8-21-15(11)6-14(10)20)19-12-5-17(24-2)18(25-3)7-16(12)22-9-23-19/h4-9,21H,1-3H3
InChIKeyQDHLJTKZOXNREZ-UHFFFAOYSA-N
XLogP4.24
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-5-methyl-1H-indol-3-yl)-6,7-dimethoxyquinazoline?
The IUPAC name of 4-(6-fluoro-5-methyl-1H-indol-3-yl)-6,7-dimethoxyquinazoline (CID 24970496) is 4-(6-fluoro-5-methyl-1H-indol-3-yl)-6,7-dimethoxyquinazoline.
What is the SMILES notation for 4-(6-fluoro-5-methyl-1H-indol-3-yl)-6,7-dimethoxyquinazoline?
The canonical SMILES for 4-(6-fluoro-5-methyl-1H-indol-3-yl)-6,7-dimethoxyquinazoline is COc1cc2ncnc(-c3c[nH]c4cc(F)c(C)cc34)c2cc1OC.
What is the InChIKey of 4-(6-fluoro-5-methyl-1H-indol-3-yl)-6,7-dimethoxyquinazoline?
The InChIKey is QDHLJTKZOXNREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-10-4-11-13(8-21-15(11)6-14(10)20)19-12-5-17(24-2)18(25-3)7-16(12)22-9-23-19/h4-9,21H,1-3H3.
What are the key properties of 4-(6-fluoro-5-methyl-1H-indol-3-yl)-6,7-dimethoxyquinazoline?
4-(6-fluoro-5-methyl-1H-indol-3-yl)-6,7-dimethoxyquinazoline has a molecular weight of 337.35 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-5-methyl-1H-indol-3-yl)-6,7-dimethoxyquinazoline is sourced from PubChem (CID 24970496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).