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

C22H17FN6 — CID 162432186

IUPAC7-[(4-fluorophenyl)methyl]-5-pyridin-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESNc1nc(N)c2c(n1)c(-c1cccnc1)cc1c2ccn1Cc1ccc(F)cc1
InChIInChI=1S/C22H17FN6/c23-15-5-3-13(4-6-15)12-29-9-7-16-18(29)10-17(14-2-1-8-26-11-14)20-19(16)21(24)28-22(25)27-20/h1-11H,12H2,(H4,24,25,27,28)
InChIKeyPRNFXWSOZLNMPR-UHFFFAOYSA-N
MW384.42 g/mol
LogP4.00
Rot. Bonds3

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

7-[(4-fluorophenyl)methyl]-5-pyridin-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine (PubChem CID 162432186) has the molecular formula C22H17FN6 and a molecular weight of 384.42 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-5-pyridin-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-5-pyridin-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine
PubChem CID162432186
Molecular FormulaC22H17FN6
Molecular Weight384.42 g/mol
Exact Mass384.15
IUPAC Name7-[(4-fluorophenyl)methyl]-5-pyridin-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESNc1nc(N)c2c(n1)c(-c1cccnc1)cc1c2ccn1Cc1ccc(F)cc1
InChIInChI=1S/C22H17FN6/c23-15-5-3-13(4-6-15)12-29-9-7-16-18(29)10-17(14-2-1-8-26-11-14)20-19(16)21(24)28-22(25)27-20/h1-11H,12H2,(H4,24,25,27,28)
InChIKeyPRNFXWSOZLNMPR-UHFFFAOYSA-N
XLogP4.00
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-5-pyridin-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-5-pyridin-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine (CID 162432186) is 7-[(4-fluorophenyl)methyl]-5-pyridin-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-5-pyridin-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-5-pyridin-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine is Nc1nc(N)c2c(n1)c(-c1cccnc1)cc1c2ccn1Cc1ccc(F)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-5-pyridin-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine?
The InChIKey is PRNFXWSOZLNMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6/c23-15-5-3-13(4-6-15)12-29-9-7-16-18(29)10-17(14-2-1-8-26-11-14)20-19(16)21(24)28-22(25)27-20/h1-11H,12H2,(H4,24,25,27,28).
What are the key properties of 7-[(4-fluorophenyl)methyl]-5-pyridin-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine?
7-[(4-fluorophenyl)methyl]-5-pyridin-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine has a molecular weight of 384.42 g/mol, XLogP of 4.00, 3 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-pyridin-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine is sourced from PubChem (CID 162432186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).