5-[(E)-2-naphthalen-2-ylethenyl]quinazoline-2,4-diamine

C20H16N4 — CID 5375003

IUPAC5-[(E)-2-naphthalen-2-ylethenyl]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(/C=C/c3ccc4ccccc4c3)cccc2n1
InChIInChI=1S/C20H16N4/c21-19-18-15(6-3-7-17(18)23-20(22)24-19)11-9-13-8-10-14-4-1-2-5-16(14)12-13/h1-12H,(H4,21,22,23,24)/b11-9+
InChIKeyLDCOMPFLZLPPSD-PKNBQFBNSA-N
MW312.38 g/mol
LogP4.12
Rot. Bonds2

About 5-[(E)-2-naphthalen-2-ylethenyl]quinazoline-2,4-diamine

5-[(E)-2-naphthalen-2-ylethenyl]quinazoline-2,4-diamine (PubChem CID 5375003) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 5-[(E)-2-naphthalen-2-ylethenyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[(E)-2-naphthalen-2-ylethenyl]quinazoline-2,4-diamine
PubChem CID5375003
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name5-[(E)-2-naphthalen-2-ylethenyl]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(/C=C/c3ccc4ccccc4c3)cccc2n1
InChIInChI=1S/C20H16N4/c21-19-18-15(6-3-7-17(18)23-20(22)24-19)11-9-13-8-10-14-4-1-2-5-16(14)12-13/h1-12H,(H4,21,22,23,24)/b11-9+
InChIKeyLDCOMPFLZLPPSD-PKNBQFBNSA-N
XLogP4.12
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(E)-2-naphthalen-2-ylethenyl]quinazoline-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-naphthalen-2-ylethenyl]quinazoline-2,4-diamine?
The IUPAC name of 5-[(E)-2-naphthalen-2-ylethenyl]quinazoline-2,4-diamine (CID 5375003) is 5-[(E)-2-naphthalen-2-ylethenyl]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[(E)-2-naphthalen-2-ylethenyl]quinazoline-2,4-diamine?
The canonical SMILES for 5-[(E)-2-naphthalen-2-ylethenyl]quinazoline-2,4-diamine is Nc1nc(N)c2c(/C=C/c3ccc4ccccc4c3)cccc2n1.
What is the InChIKey of 5-[(E)-2-naphthalen-2-ylethenyl]quinazoline-2,4-diamine?
The InChIKey is LDCOMPFLZLPPSD-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H16N4/c21-19-18-15(6-3-7-17(18)23-20(22)24-19)11-9-13-8-10-14-4-1-2-5-16(14)12-13/h1-12H,(H4,21,22,23,24)/b11-9+.
What are the key properties of 5-[(E)-2-naphthalen-2-ylethenyl]quinazoline-2,4-diamine?
5-[(E)-2-naphthalen-2-ylethenyl]quinazoline-2,4-diamine has a molecular weight of 312.38 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-naphthalen-2-ylethenyl]quinazoline-2,4-diamine is sourced from PubChem (CID 5375003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).