2-(3-ethynylphenyl)quinazolin-4-amine

C16H11N3 — CID 141438841

IUPAC2-(3-ethynylphenyl)quinazolin-4-amine
SMILESC#Cc1cccc(-c2nc(N)c3ccccc3n2)c1
InChIInChI=1S/C16H11N3/c1-2-11-6-5-7-12(10-11)16-18-14-9-4-3-8-13(14)15(17)19-16/h1,3-10H,(H2,17,18,19)
InChIKeyMWWBRWUWRBDJHB-UHFFFAOYSA-N
MW245.29 g/mol
LogP2.86
Rot. Bonds1

About 2-(3-ethynylphenyl)quinazolin-4-amine

2-(3-ethynylphenyl)quinazolin-4-amine (PubChem CID 141438841) has the molecular formula C16H11N3 and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-(3-ethynylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(3-ethynylphenyl)quinazolin-4-amine
PubChem CID141438841
Molecular FormulaC16H11N3
Molecular Weight245.29 g/mol
Exact Mass245.10
IUPAC Name2-(3-ethynylphenyl)quinazolin-4-amine
SMILESC#Cc1cccc(-c2nc(N)c3ccccc3n2)c1
InChIInChI=1S/C16H11N3/c1-2-11-6-5-7-12(10-11)16-18-14-9-4-3-8-13(14)15(17)19-16/h1,3-10H,(H2,17,18,19)
InChIKeyMWWBRWUWRBDJHB-UHFFFAOYSA-N
XLogP2.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethynylphenyl)quinazolin-4-amine
CID 89358101
3-[4-(methylamino)quinazolin-2-yl]benzonitrile
CID 3233618
2-(4,6-dimethylpyrimidin-2-yl)quinazolin-4-amine
CID 10610759
2-(4-tert-butylphenyl)quinazolin-4-amine
CID 23762885
2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 67327308
2-pyrimidin-2-ylquinazolin-4-amine
CID 173199293
3-[2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile
CID 170214886
6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine
CID 64983813
2-(3-chloro-5-methylphenyl)quinazolin-4-amine
CID 81324898
6-bromo-2-phenylquinazolin-4-amine
CID 15879877
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile
CID 176848103
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile
CID 175620932

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethynylphenyl)quinazolin-4-amine?
The IUPAC name of 2-(3-ethynylphenyl)quinazolin-4-amine (CID 141438841) is 2-(3-ethynylphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-(3-ethynylphenyl)quinazolin-4-amine?
The canonical SMILES for 2-(3-ethynylphenyl)quinazolin-4-amine is C#Cc1cccc(-c2nc(N)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-ethynylphenyl)quinazolin-4-amine?
The InChIKey is MWWBRWUWRBDJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3/c1-2-11-6-5-7-12(10-11)16-18-14-9-4-3-8-13(14)15(17)19-16/h1,3-10H,(H2,17,18,19).
What are the key properties of 2-(3-ethynylphenyl)quinazolin-4-amine?
2-(3-ethynylphenyl)quinazolin-4-amine has a molecular weight of 245.29 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethynylphenyl)quinazolin-4-amine is sourced from PubChem (CID 141438841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).