2-[(2-phenylquinazolin-4-yl)amino]-N-prop-2-ynylacetamide

C19H16N4O — CID 133278092

IUPAC2-[(2-phenylquinazolin-4-yl)amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CNc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H16N4O/c1-2-12-20-17(24)13-21-19-15-10-6-7-11-16(15)22-18(23-19)14-8-4-3-5-9-14/h1,3-11H,12-13H2,(H,20,24)(H,21,22,23)
InChIKeyWBWJPXWUVWWWAE-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.46
Rot. Bonds5

About 2-[(2-phenylquinazolin-4-yl)amino]-N-prop-2-ynylacetamide

2-[(2-phenylquinazolin-4-yl)amino]-N-prop-2-ynylacetamide (PubChem CID 133278092) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[(2-phenylquinazolin-4-yl)amino]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[(2-phenylquinazolin-4-yl)amino]-N-prop-2-ynylacetamide
PubChem CID133278092
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2-[(2-phenylquinazolin-4-yl)amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CNc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H16N4O/c1-2-12-20-17(24)13-21-19-15-10-6-7-11-16(15)22-18(23-19)14-8-4-3-5-9-14/h1,3-11H,12-13H2,(H,20,24)(H,21,22,23)
InChIKeyWBWJPXWUVWWWAE-UHFFFAOYSA-N
XLogP2.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylquinazolin-4-yl)amino]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[(2-phenylquinazolin-4-yl)amino]-N-prop-2-ynylacetamide (CID 133278092) is 2-[(2-phenylquinazolin-4-yl)amino]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[(2-phenylquinazolin-4-yl)amino]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[(2-phenylquinazolin-4-yl)amino]-N-prop-2-ynylacetamide is C#CCNC(=O)CNc1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-[(2-phenylquinazolin-4-yl)amino]-N-prop-2-ynylacetamide?
The InChIKey is WBWJPXWUVWWWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-2-12-20-17(24)13-21-19-15-10-6-7-11-16(15)22-18(23-19)14-8-4-3-5-9-14/h1,3-11H,12-13H2,(H,20,24)(H,21,22,23).
What are the key properties of 2-[(2-phenylquinazolin-4-yl)amino]-N-prop-2-ynylacetamide?
2-[(2-phenylquinazolin-4-yl)amino]-N-prop-2-ynylacetamide has a molecular weight of 316.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylquinazolin-4-yl)amino]-N-prop-2-ynylacetamide is sourced from PubChem (CID 133278092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).