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

C18H14FN3O — CID 154455726

IUPAC6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline
SMILESCOc1ccc(F)cc1-c1cc2ncncc2c2ccn(C)c12
InChIInChI=1S/C18H14FN3O/c1-22-6-5-12-15-9-20-10-21-16(15)8-14(18(12)22)13-7-11(19)3-4-17(13)23-2/h3-10H,1-2H3
InChIKeyMTRPBSFNRPQKSK-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.94
Rot. Bonds2

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

6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline (PubChem CID 154455726) has the molecular formula C18H14FN3O and a molecular weight of 307.33 g/mol. Its IUPAC name is 6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline.

Molecular Properties

Compound Name6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline
PubChem CID154455726
Molecular FormulaC18H14FN3O
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline
SMILESCOc1ccc(F)cc1-c1cc2ncncc2c2ccn(C)c12
InChIInChI=1S/C18H14FN3O/c1-22-6-5-12-15-9-20-10-21-16(15)8-14(18(12)22)13-7-11(19)3-4-17(13)23-2/h3-10H,1-2H3
InChIKeyMTRPBSFNRPQKSK-UHFFFAOYSA-N
XLogP3.94
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline?
The IUPAC name of 6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline (CID 154455726) is 6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline.
What is the SMILES notation for 6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline?
The canonical SMILES for 6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline is COc1ccc(F)cc1-c1cc2ncncc2c2ccn(C)c12.
What is the InChIKey of 6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline?
The InChIKey is MTRPBSFNRPQKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O/c1-22-6-5-12-15-9-20-10-21-16(15)8-14(18(12)22)13-7-11(19)3-4-17(13)23-2/h3-10H,1-2H3.
What are the key properties of 6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline?
6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline has a molecular weight of 307.33 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-methoxyphenyl)-7-methylpyrrolo[3,2-f]quinazoline is sourced from PubChem (CID 154455726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).