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

C11H8BrN3O — CID 151643900

IUPACN-(6-bromoquinazolin-4-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ncnc2ccc(Br)cc12
InChIInChI=1S/C11H8BrN3O/c1-2-10(16)15-11-8-5-7(12)3-4-9(8)13-6-14-11/h2-6H,1H2,(H,13,14,15,16)
InChIKeyQTCKTNIGDFMJBC-UHFFFAOYSA-N
MW278.11 g/mol
LogP2.52
Rot. Bonds2

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

N-(6-bromoquinazolin-4-yl)prop-2-enamide (PubChem CID 151643900) has the molecular formula C11H8BrN3O and a molecular weight of 278.11 g/mol. Its IUPAC name is N-(6-bromoquinazolin-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(6-bromoquinazolin-4-yl)prop-2-enamide
PubChem CID151643900
Molecular FormulaC11H8BrN3O
Molecular Weight278.11 g/mol
Exact Mass276.99
IUPAC NameN-(6-bromoquinazolin-4-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ncnc2ccc(Br)cc12
InChIInChI=1S/C11H8BrN3O/c1-2-10(16)15-11-8-5-7(12)3-4-9(8)13-6-14-11/h2-6H,1H2,(H,13,14,15,16)
InChIKeyQTCKTNIGDFMJBC-UHFFFAOYSA-N
XLogP2.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(6-bromoquinazolin-4-yl)prop-2-enamide?
The IUPAC name of N-(6-bromoquinazolin-4-yl)prop-2-enamide (CID 151643900) is N-(6-bromoquinazolin-4-yl)prop-2-enamide.
What is the SMILES notation for N-(6-bromoquinazolin-4-yl)prop-2-enamide?
The canonical SMILES for N-(6-bromoquinazolin-4-yl)prop-2-enamide is C=CC(=O)Nc1ncnc2ccc(Br)cc12.
What is the InChIKey of N-(6-bromoquinazolin-4-yl)prop-2-enamide?
The InChIKey is QTCKTNIGDFMJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O/c1-2-10(16)15-11-8-5-7(12)3-4-9(8)13-6-14-11/h2-6H,1H2,(H,13,14,15,16).
What are the key properties of N-(6-bromoquinazolin-4-yl)prop-2-enamide?
N-(6-bromoquinazolin-4-yl)prop-2-enamide has a molecular weight of 278.11 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromoquinazolin-4-yl)prop-2-enamide is sourced from PubChem (CID 151643900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).