3-quinazolin-7-ylprop-2-enamide

C11H9N3O — CID 54137303

IUPAC3-quinazolin-7-ylprop-2-enamide
SMILESNC(=O)C=Cc1ccc2cncnc2c1
InChIInChI=1S/C11H9N3O/c12-11(15)4-2-8-1-3-9-6-13-7-14-10(9)5-8/h1-7H,(H2,12,15)
InChIKeyNYPWNIZDNDKZIP-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.13
Rot. Bonds2

About 3-quinazolin-7-ylprop-2-enamide

3-quinazolin-7-ylprop-2-enamide (PubChem CID 54137303) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-quinazolin-7-ylprop-2-enamide.

Molecular Properties

Compound Name3-quinazolin-7-ylprop-2-enamide
PubChem CID54137303
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name3-quinazolin-7-ylprop-2-enamide
SMILESNC(=O)C=Cc1ccc2cncnc2c1
InChIInChI=1S/C11H9N3O/c12-11(15)4-2-8-1-3-9-6-13-7-14-10(9)5-8/h1-7H,(H2,12,15)
InChIKeyNYPWNIZDNDKZIP-UHFFFAOYSA-N
XLogP1.13
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.13
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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Related Compounds

3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
(E)-4-amino-4-quinazolin-6-ylbut-2-enamide
CID 70271790
3-(2-methyl-1,3-benzoxazol-5-yl)prop-2-enamide
CID 169481951
(Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide
CID 55267916
(NE)-N-(quinazolin-6-ylmethylidene)hydroxylamine
CID 119083203
(E)-3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enoic acid
CID 169482234
(E)-3-isoquinolin-6-ylprop-2-enoic acid
CID 82580093
3-(6-cyano-3-pyridinyl)prop-2-enamide
CID 169481486
2-[5-(3-amino-3-oxoprop-1-enyl)-2-chlorophenyl]acetic acid
CID 169482209
(Z)-3-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 55267756
(E)-3-(3-hydroxy-4-methylphenyl)prop-2-enamide
CID 142522237
quinazoline-7-sulfinate
CID 67247781

Frequently Asked Questions

What is the IUPAC name of 3-quinazolin-7-ylprop-2-enamide?
The IUPAC name of 3-quinazolin-7-ylprop-2-enamide (CID 54137303) is 3-quinazolin-7-ylprop-2-enamide.
What is the SMILES notation for 3-quinazolin-7-ylprop-2-enamide?
The canonical SMILES for 3-quinazolin-7-ylprop-2-enamide is NC(=O)C=Cc1ccc2cncnc2c1.
What is the InChIKey of 3-quinazolin-7-ylprop-2-enamide?
The InChIKey is NYPWNIZDNDKZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c12-11(15)4-2-8-1-3-9-6-13-7-14-10(9)5-8/h1-7H,(H2,12,15).
What are the key properties of 3-quinazolin-7-ylprop-2-enamide?
3-quinazolin-7-ylprop-2-enamide has a molecular weight of 199.21 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinazolin-7-ylprop-2-enamide is sourced from PubChem (CID 54137303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).