6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine

C18H16FN5O — CID 11313714

IUPAC6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCOc1ccc(F)cc1-c1cc2nc(N)nc(N)c2c2ccn(C)c12
InChIInChI=1S/C18H16FN5O/c1-24-6-5-10-15-13(22-18(21)23-17(15)20)8-12(16(10)24)11-7-9(19)3-4-14(11)25-2/h3-8H,1-2H3,(H4,20,21,22,23)
InChIKeyGHIOMPRCPVFWPH-UHFFFAOYSA-N
MW337.36 g/mol
LogP3.10
Rot. Bonds2

About 6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine

6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine (PubChem CID 11313714) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is 6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine.

Molecular Properties

Compound Name6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine
PubChem CID11313714
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCOc1ccc(F)cc1-c1cc2nc(N)nc(N)c2c2ccn(C)c12
InChIInChI=1S/C18H16FN5O/c1-24-6-5-10-15-13(22-18(21)23-17(15)20)8-12(16(10)24)11-7-9(19)3-4-14(11)25-2/h3-8H,1-2H3,(H4,20,21,22,23)
InChIKeyGHIOMPRCPVFWPH-UHFFFAOYSA-N
XLogP3.10
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine?
The IUPAC name of 6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine (CID 11313714) is 6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine.
What is the SMILES notation for 6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine?
The canonical SMILES for 6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine is COc1ccc(F)cc1-c1cc2nc(N)nc(N)c2c2ccn(C)c12.
What is the InChIKey of 6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine?
The InChIKey is GHIOMPRCPVFWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c1-24-6-5-10-15-13(22-18(21)23-17(15)20)8-12(16(10)24)11-7-9(19)3-4-14(11)25-2/h3-8H,1-2H3,(H4,20,21,22,23).
What are the key properties of 6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine?
6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine has a molecular weight of 337.36 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine is sourced from PubChem (CID 11313714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).