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

C18H13ClFN3O2 — CID 24863865

IUPAC4-(5-chloro-6-fluoro-1H-indol-3-yl)-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(-c3c[nH]c4cc(F)c(Cl)cc34)c2cc1OC
InChIInChI=1S/C18H13ClFN3O2/c1-24-16-4-10-15(6-17(16)25-2)22-8-23-18(10)11-7-21-14-5-13(20)12(19)3-9(11)14/h3-8,21H,1-2H3
InChIKeyCKNICHHQTFEWGN-UHFFFAOYSA-N
MW357.77 g/mol
LogP4.59
Rot. Bonds3

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

4-(5-chloro-6-fluoro-1H-indol-3-yl)-6,7-dimethoxyquinazoline (PubChem CID 24863865) has the molecular formula C18H13ClFN3O2 and a molecular weight of 357.77 g/mol. Its IUPAC name is 4-(5-chloro-6-fluoro-1H-indol-3-yl)-6,7-dimethoxyquinazoline.

Molecular Properties

Compound Name4-(5-chloro-6-fluoro-1H-indol-3-yl)-6,7-dimethoxyquinazoline
PubChem CID24863865
Molecular FormulaC18H13ClFN3O2
Molecular Weight357.77 g/mol
Exact Mass357.07
IUPAC Name4-(5-chloro-6-fluoro-1H-indol-3-yl)-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(-c3c[nH]c4cc(F)c(Cl)cc34)c2cc1OC
InChIInChI=1S/C18H13ClFN3O2/c1-24-16-4-10-15(6-17(16)25-2)22-8-23-18(10)11-7-21-14-5-13(20)12(19)3-9(11)14/h3-8,21H,1-2H3
InChIKeyCKNICHHQTFEWGN-UHFFFAOYSA-N
XLogP4.59
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-6-fluoro-1H-indol-3-yl)-6,7-dimethoxyquinazoline?
The IUPAC name of 4-(5-chloro-6-fluoro-1H-indol-3-yl)-6,7-dimethoxyquinazoline (CID 24863865) is 4-(5-chloro-6-fluoro-1H-indol-3-yl)-6,7-dimethoxyquinazoline.
What is the SMILES notation for 4-(5-chloro-6-fluoro-1H-indol-3-yl)-6,7-dimethoxyquinazoline?
The canonical SMILES for 4-(5-chloro-6-fluoro-1H-indol-3-yl)-6,7-dimethoxyquinazoline is COc1cc2ncnc(-c3c[nH]c4cc(F)c(Cl)cc34)c2cc1OC.
What is the InChIKey of 4-(5-chloro-6-fluoro-1H-indol-3-yl)-6,7-dimethoxyquinazoline?
The InChIKey is CKNICHHQTFEWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2/c1-24-16-4-10-15(6-17(16)25-2)22-8-23-18(10)11-7-21-14-5-13(20)12(19)3-9(11)14/h3-8,21H,1-2H3.
What are the key properties of 4-(5-chloro-6-fluoro-1H-indol-3-yl)-6,7-dimethoxyquinazoline?
4-(5-chloro-6-fluoro-1H-indol-3-yl)-6,7-dimethoxyquinazoline has a molecular weight of 357.77 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-6-fluoro-1H-indol-3-yl)-6,7-dimethoxyquinazoline is sourced from PubChem (CID 24863865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).