2-N-quinazolin-4-ylbenzene-1,2-diamine

C14H12N4 — CID 21190751

IUPAC2-N-quinazolin-4-ylbenzene-1,2-diamine
SMILESNc1ccccc1Nc1ncnc2ccccc12
InChIInChI=1S/C14H12N4/c15-11-6-2-4-8-13(11)18-14-10-5-1-3-7-12(10)16-9-17-14/h1-9H,15H2,(H,16,17,18)
InChIKeyBESUIEQZWQVXAK-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.96
Rot. Bonds2

About 2-N-quinazolin-4-ylbenzene-1,2-diamine

2-N-quinazolin-4-ylbenzene-1,2-diamine (PubChem CID 21190751) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-N-quinazolin-4-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-quinazolin-4-ylbenzene-1,2-diamine
PubChem CID21190751
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name2-N-quinazolin-4-ylbenzene-1,2-diamine
SMILESNc1ccccc1Nc1ncnc2ccccc12
InChIInChI=1S/C14H12N4/c15-11-6-2-4-8-13(11)18-14-10-5-1-3-7-12(10)16-9-17-14/h1-9H,15H2,(H,16,17,18)
InChIKeyBESUIEQZWQVXAK-UHFFFAOYSA-N
XLogP2.96
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-quinazolin-4-ylbenzene-1,2-diamine?
The IUPAC name of 2-N-quinazolin-4-ylbenzene-1,2-diamine (CID 21190751) is 2-N-quinazolin-4-ylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-quinazolin-4-ylbenzene-1,2-diamine?
The canonical SMILES for 2-N-quinazolin-4-ylbenzene-1,2-diamine is Nc1ccccc1Nc1ncnc2ccccc12.
What is the InChIKey of 2-N-quinazolin-4-ylbenzene-1,2-diamine?
The InChIKey is BESUIEQZWQVXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c15-11-6-2-4-8-13(11)18-14-10-5-1-3-7-12(10)16-9-17-14/h1-9H,15H2,(H,16,17,18).
What are the key properties of 2-N-quinazolin-4-ylbenzene-1,2-diamine?
2-N-quinazolin-4-ylbenzene-1,2-diamine has a molecular weight of 236.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-quinazolin-4-ylbenzene-1,2-diamine is sourced from PubChem (CID 21190751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).