7-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolo[3,2-f]quinazoline-1,3-diamine

C24H20FN5O — CID 162432146

IUPAC7-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCOc1ccc(-c2cc3c(ccn3Cc3ccc(F)cc3)c3c(N)nc(N)nc23)cc1
InChIInChI=1S/C24H20FN5O/c1-31-17-8-4-15(5-9-17)19-12-20-18(21-22(19)28-24(27)29-23(21)26)10-11-30(20)13-14-2-6-16(25)7-3-14/h2-12H,13H2,1H3,(H4,26,27,28,29)
InChIKeyQGSFFNYIAPQZHH-UHFFFAOYSA-N
MW413.46 g/mol
LogP4.61
Rot. Bonds4

About 7-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolo[3,2-f]quinazoline-1,3-diamine

7-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolo[3,2-f]quinazoline-1,3-diamine (PubChem CID 162432146) has the molecular formula C24H20FN5O and a molecular weight of 413.46 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolo[3,2-f]quinazoline-1,3-diamine.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
PubChem CID162432146
Molecular FormulaC24H20FN5O
Molecular Weight413.46 g/mol
Exact Mass413.17
IUPAC Name7-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCOc1ccc(-c2cc3c(ccn3Cc3ccc(F)cc3)c3c(N)nc(N)nc23)cc1
InChIInChI=1S/C24H20FN5O/c1-31-17-8-4-15(5-9-17)19-12-20-18(21-22(19)28-24(27)29-23(21)26)10-11-30(20)13-14-2-6-16(25)7-3-14/h2-12H,13H2,1H3,(H4,26,27,28,29)
InChIKeyQGSFFNYIAPQZHH-UHFFFAOYSA-N
XLogP4.61
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolo[3,2-f]quinazoline-1,3-diamine?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolo[3,2-f]quinazoline-1,3-diamine (CID 162432146) is 7-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolo[3,2-f]quinazoline-1,3-diamine.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolo[3,2-f]quinazoline-1,3-diamine?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolo[3,2-f]quinazoline-1,3-diamine is COc1ccc(-c2cc3c(ccn3Cc3ccc(F)cc3)c3c(N)nc(N)nc23)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolo[3,2-f]quinazoline-1,3-diamine?
The InChIKey is QGSFFNYIAPQZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O/c1-31-17-8-4-15(5-9-17)19-12-20-18(21-22(19)28-24(27)29-23(21)26)10-11-30(20)13-14-2-6-16(25)7-3-14/h2-12H,13H2,1H3,(H4,26,27,28,29).
What are the key properties of 7-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolo[3,2-f]quinazoline-1,3-diamine?
7-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolo[3,2-f]quinazoline-1,3-diamine has a molecular weight of 413.46 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolo[3,2-f]quinazoline-1,3-diamine is sourced from PubChem (CID 162432146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).