7-phenylquinazoline-2,4-diamine

C14H12N4 — CID 56669623

IUPAC7-phenylquinazoline-2,4-diamine
SMILESNc1nc(N)c2ccc(-c3ccccc3)cc2n1
InChIInChI=1S/C14H12N4/c15-13-11-7-6-10(9-4-2-1-3-5-9)8-12(11)17-14(16)18-13/h1-8H,(H4,15,16,17,18)
InChIKeyVQOBXMVKFHMZJP-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.46
Rot. Bonds1

About 7-phenylquinazoline-2,4-diamine

7-phenylquinazoline-2,4-diamine (PubChem CID 56669623) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 7-phenylquinazoline-2,4-diamine.

Molecular Properties

Compound Name7-phenylquinazoline-2,4-diamine
PubChem CID56669623
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name7-phenylquinazoline-2,4-diamine
SMILESNc1nc(N)c2ccc(-c3ccccc3)cc2n1
InChIInChI=1S/C14H12N4/c15-13-11-7-6-10(9-4-2-1-3-5-9)8-12(11)17-14(16)18-13/h1-8H,(H4,15,16,17,18)
InChIKeyVQOBXMVKFHMZJP-UHFFFAOYSA-N
XLogP2.46
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-phenylquinazoline-2,4-diamine?
The IUPAC name of 7-phenylquinazoline-2,4-diamine (CID 56669623) is 7-phenylquinazoline-2,4-diamine.
What is the SMILES notation for 7-phenylquinazoline-2,4-diamine?
The canonical SMILES for 7-phenylquinazoline-2,4-diamine is Nc1nc(N)c2ccc(-c3ccccc3)cc2n1.
What is the InChIKey of 7-phenylquinazoline-2,4-diamine?
The InChIKey is VQOBXMVKFHMZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c15-13-11-7-6-10(9-4-2-1-3-5-9)8-12(11)17-14(16)18-13/h1-8H,(H4,15,16,17,18).
What are the key properties of 7-phenylquinazoline-2,4-diamine?
7-phenylquinazoline-2,4-diamine has a molecular weight of 236.28 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylquinazoline-2,4-diamine is sourced from PubChem (CID 56669623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).