N-(4-anilinoquinazolin-6-yl)prop-2-enamide

C17H14N4O — CID 10401956

IUPACN-(4-anilinoquinazolin-6-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc2ncnc(Nc3ccccc3)c2c1
InChIInChI=1S/C17H14N4O/c1-2-16(22)20-13-8-9-15-14(10-13)17(19-11-18-15)21-12-6-4-3-5-7-12/h2-11H,1H2,(H,20,22)(H,18,19,21)
InChIKeyJGWHILNNHLDARR-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.50
Rot. Bonds4

About N-(4-anilinoquinazolin-6-yl)prop-2-enamide

N-(4-anilinoquinazolin-6-yl)prop-2-enamide (PubChem CID 10401956) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-(4-anilinoquinazolin-6-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-anilinoquinazolin-6-yl)prop-2-enamide
PubChem CID10401956
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC NameN-(4-anilinoquinazolin-6-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc2ncnc(Nc3ccccc3)c2c1
InChIInChI=1S/C17H14N4O/c1-2-16(22)20-13-8-9-15-14(10-13)17(19-11-18-15)21-12-6-4-3-5-7-12/h2-11H,1H2,(H,20,22)(H,18,19,21)
InChIKeyJGWHILNNHLDARR-UHFFFAOYSA-N
XLogP3.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-anilinoquinazolin-6-yl)prop-2-enamide?
The IUPAC name of N-(4-anilinoquinazolin-6-yl)prop-2-enamide (CID 10401956) is N-(4-anilinoquinazolin-6-yl)prop-2-enamide.
What is the SMILES notation for N-(4-anilinoquinazolin-6-yl)prop-2-enamide?
The canonical SMILES for N-(4-anilinoquinazolin-6-yl)prop-2-enamide is C=CC(=O)Nc1ccc2ncnc(Nc3ccccc3)c2c1.
What is the InChIKey of N-(4-anilinoquinazolin-6-yl)prop-2-enamide?
The InChIKey is JGWHILNNHLDARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-2-16(22)20-13-8-9-15-14(10-13)17(19-11-18-15)21-12-6-4-3-5-7-12/h2-11H,1H2,(H,20,22)(H,18,19,21).
What are the key properties of N-(4-anilinoquinazolin-6-yl)prop-2-enamide?
N-(4-anilinoquinazolin-6-yl)prop-2-enamide has a molecular weight of 290.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinoquinazolin-6-yl)prop-2-enamide is sourced from PubChem (CID 10401956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).