N-(4-prop-2-enylphenyl)quinazolin-2-amine

C17H15N3 — CID 174758474

IUPACN-(4-prop-2-enylphenyl)quinazolin-2-amine
SMILESC=CCc1ccc(Nc2ncc3ccccc3n2)cc1
InChIInChI=1S/C17H15N3/c1-2-5-13-8-10-15(11-9-13)19-17-18-12-14-6-3-4-7-16(14)20-17/h2-4,6-12H,1,5H2,(H,18,19,20)
InChIKeyNEHSMXZCTIAZST-UHFFFAOYSA-N
MW261.33 g/mol
LogP4.10
Rot. Bonds4

About N-(4-prop-2-enylphenyl)quinazolin-2-amine

N-(4-prop-2-enylphenyl)quinazolin-2-amine (PubChem CID 174758474) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is N-(4-prop-2-enylphenyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(4-prop-2-enylphenyl)quinazolin-2-amine
PubChem CID174758474
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC NameN-(4-prop-2-enylphenyl)quinazolin-2-amine
SMILESC=CCc1ccc(Nc2ncc3ccccc3n2)cc1
InChIInChI=1S/C17H15N3/c1-2-5-13-8-10-15(11-9-13)19-17-18-12-14-6-3-4-7-16(14)20-17/h2-4,6-12H,1,5H2,(H,18,19,20)
InChIKeyNEHSMXZCTIAZST-UHFFFAOYSA-N
XLogP4.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-prop-2-enylphenyl)quinazolin-2-amine?
The IUPAC name of N-(4-prop-2-enylphenyl)quinazolin-2-amine (CID 174758474) is N-(4-prop-2-enylphenyl)quinazolin-2-amine.
What is the SMILES notation for N-(4-prop-2-enylphenyl)quinazolin-2-amine?
The canonical SMILES for N-(4-prop-2-enylphenyl)quinazolin-2-amine is C=CCc1ccc(Nc2ncc3ccccc3n2)cc1.
What is the InChIKey of N-(4-prop-2-enylphenyl)quinazolin-2-amine?
The InChIKey is NEHSMXZCTIAZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-2-5-13-8-10-15(11-9-13)19-17-18-12-14-6-3-4-7-16(14)20-17/h2-4,6-12H,1,5H2,(H,18,19,20).
What are the key properties of N-(4-prop-2-enylphenyl)quinazolin-2-amine?
N-(4-prop-2-enylphenyl)quinazolin-2-amine has a molecular weight of 261.33 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-prop-2-enylphenyl)quinazolin-2-amine is sourced from PubChem (CID 174758474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).