6-(2,4-difluorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine

C17H13F2N5 — CID 11232589

IUPAC6-(2,4-difluorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCn1ccc2c3c(N)nc(N)nc3cc(-c3ccc(F)cc3F)c21
InChIInChI=1S/C17H13F2N5/c1-24-5-4-10-14-13(22-17(21)23-16(14)20)7-11(15(10)24)9-3-2-8(18)6-12(9)19/h2-7H,1H3,(H4,20,21,22,23)
InChIKeyPWRSNSWXHGKCEX-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.23
Rot. Bonds1

About 6-(2,4-difluorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine

6-(2,4-difluorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine (PubChem CID 11232589) has the molecular formula C17H13F2N5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine
PubChem CID11232589
Molecular FormulaC17H13F2N5
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name6-(2,4-difluorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCn1ccc2c3c(N)nc(N)nc3cc(-c3ccc(F)cc3F)c21
InChIInChI=1S/C17H13F2N5/c1-24-5-4-10-14-13(22-17(21)23-16(14)20)7-11(15(10)24)9-3-2-8(18)6-12(9)19/h2-7H,1H3,(H4,20,21,22,23)
InChIKeyPWRSNSWXHGKCEX-UHFFFAOYSA-N
XLogP3.23
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine?
The IUPAC name of 6-(2,4-difluorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine (CID 11232589) is 6-(2,4-difluorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine.
What is the SMILES notation for 6-(2,4-difluorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine?
The canonical SMILES for 6-(2,4-difluorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine is Cn1ccc2c3c(N)nc(N)nc3cc(-c3ccc(F)cc3F)c21.
What is the InChIKey of 6-(2,4-difluorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine?
The InChIKey is PWRSNSWXHGKCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5/c1-24-5-4-10-14-13(22-17(21)23-16(14)20)7-11(15(10)24)9-3-2-8(18)6-12(9)19/h2-7H,1H3,(H4,20,21,22,23).
What are the key properties of 6-(2,4-difluorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine?
6-(2,4-difluorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine has a molecular weight of 325.32 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine is sourced from PubChem (CID 11232589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).