2-phenyl-1H-pyrrolo[2,3-f]quinazoline

C16H11N3 — CID 142601304

IUPAC2-phenyl-1H-pyrrolo[2,3-f]quinazoline
SMILESc1ccc(-c2cc3ccc4ncncc4c3[nH]2)cc1
InChIInChI=1S/C16H11N3/c1-2-4-11(5-3-1)15-8-12-6-7-14-13(16(12)19-15)9-17-10-18-14/h1-10,19H
InChIKeyISTDEHIBLXYPGU-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.78
Rot. Bonds1

About 2-phenyl-1H-pyrrolo[2,3-f]quinazoline

2-phenyl-1H-pyrrolo[2,3-f]quinazoline (PubChem CID 142601304) has the molecular formula C16H11N3 and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-phenyl-1H-pyrrolo[2,3-f]quinazoline.

Molecular Properties

Compound Name2-phenyl-1H-pyrrolo[2,3-f]quinazoline
PubChem CID142601304
Molecular FormulaC16H11N3
Molecular Weight245.29 g/mol
Exact Mass245.10
IUPAC Name2-phenyl-1H-pyrrolo[2,3-f]quinazoline
SMILESc1ccc(-c2cc3ccc4ncncc4c3[nH]2)cc1
InChIInChI=1S/C16H11N3/c1-2-4-11(5-3-1)15-8-12-6-7-14-13(16(12)19-15)9-17-10-18-14/h1-10,19H
InChIKeyISTDEHIBLXYPGU-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1H-pyrrolo[2,3-f]quinazoline?
The IUPAC name of 2-phenyl-1H-pyrrolo[2,3-f]quinazoline (CID 142601304) is 2-phenyl-1H-pyrrolo[2,3-f]quinazoline.
What is the SMILES notation for 2-phenyl-1H-pyrrolo[2,3-f]quinazoline?
The canonical SMILES for 2-phenyl-1H-pyrrolo[2,3-f]quinazoline is c1ccc(-c2cc3ccc4ncncc4c3[nH]2)cc1.
What is the InChIKey of 2-phenyl-1H-pyrrolo[2,3-f]quinazoline?
The InChIKey is ISTDEHIBLXYPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3/c1-2-4-11(5-3-1)15-8-12-6-7-14-13(16(12)19-15)9-17-10-18-14/h1-10,19H.
What are the key properties of 2-phenyl-1H-pyrrolo[2,3-f]quinazoline?
2-phenyl-1H-pyrrolo[2,3-f]quinazoline has a molecular weight of 245.29 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1H-pyrrolo[2,3-f]quinazoline is sourced from PubChem (CID 142601304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).