2-phenyl-N-pyrrol-1-ylquinazolin-4-amine

C18H14N4 — CID 10108060

IUPAC2-phenyl-N-pyrrol-1-ylquinazolin-4-amine
SMILESc1ccc(-c2nc(Nn3cccc3)c3ccccc3n2)cc1
InChIInChI=1S/C18H14N4/c1-2-8-14(9-3-1)17-19-16-11-5-4-10-15(16)18(20-17)21-22-12-6-7-13-22/h1-13H,(H,19,20,21)
InChIKeyVMQRHBIXLCYAHL-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.97
Rot. Bonds3

About 2-phenyl-N-pyrrol-1-ylquinazolin-4-amine

2-phenyl-N-pyrrol-1-ylquinazolin-4-amine (PubChem CID 10108060) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-phenyl-N-pyrrol-1-ylquinazolin-4-amine.

Molecular Properties

Compound Name2-phenyl-N-pyrrol-1-ylquinazolin-4-amine
PubChem CID10108060
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name2-phenyl-N-pyrrol-1-ylquinazolin-4-amine
SMILESc1ccc(-c2nc(Nn3cccc3)c3ccccc3n2)cc1
InChIInChI=1S/C18H14N4/c1-2-8-14(9-3-1)17-19-16-11-5-4-10-15(16)18(20-17)21-22-12-6-7-13-22/h1-13H,(H,19,20,21)
InChIKeyVMQRHBIXLCYAHL-UHFFFAOYSA-N
XLogP3.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-pyrrol-1-ylquinazolin-4-amine?
The IUPAC name of 2-phenyl-N-pyrrol-1-ylquinazolin-4-amine (CID 10108060) is 2-phenyl-N-pyrrol-1-ylquinazolin-4-amine.
What is the SMILES notation for 2-phenyl-N-pyrrol-1-ylquinazolin-4-amine?
The canonical SMILES for 2-phenyl-N-pyrrol-1-ylquinazolin-4-amine is c1ccc(-c2nc(Nn3cccc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-phenyl-N-pyrrol-1-ylquinazolin-4-amine?
The InChIKey is VMQRHBIXLCYAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-2-8-14(9-3-1)17-19-16-11-5-4-10-15(16)18(20-17)21-22-12-6-7-13-22/h1-13H,(H,19,20,21).
What are the key properties of 2-phenyl-N-pyrrol-1-ylquinazolin-4-amine?
2-phenyl-N-pyrrol-1-ylquinazolin-4-amine has a molecular weight of 286.34 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-pyrrol-1-ylquinazolin-4-amine is sourced from PubChem (CID 10108060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).