2-[4-oxo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-3-yl]propanamide

C18H16N4O2 — CID 101020923

IUPAC2-[4-oxo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-3-yl]propanamide
SMILESCC(C(N)=O)n1c(/C=C/c2cccnc2)nc2ccccc2c1=O
InChIInChI=1S/C18H16N4O2/c1-12(17(19)23)22-16(9-8-13-5-4-10-20-11-13)21-15-7-3-2-6-14(15)18(22)24/h2-12H,1H3,(H2,19,23)/b9-8+
InChIKeyOGJGXQYIWGIDGK-CMDGGOBGSA-N
MW320.35 g/mol
LogP2.01
Rot. Bonds4

About 2-[4-oxo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-3-yl]propanamide

2-[4-oxo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-3-yl]propanamide (PubChem CID 101020923) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[4-oxo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-3-yl]propanamide.

Molecular Properties

Compound Name2-[4-oxo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-3-yl]propanamide
PubChem CID101020923
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-[4-oxo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-3-yl]propanamide
SMILESCC(C(N)=O)n1c(/C=C/c2cccnc2)nc2ccccc2c1=O
InChIInChI=1S/C18H16N4O2/c1-12(17(19)23)22-16(9-8-13-5-4-10-20-11-13)21-15-7-3-2-6-14(15)18(22)24/h2-12H,1H3,(H2,19,23)/b9-8+
InChIKeyOGJGXQYIWGIDGK-CMDGGOBGSA-N
XLogP2.01
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-oxo-2-[(E)-2-(3-phenoxyphenyl)ethenyl]quinazolin-3-yl]propanamide
CID 101020928
3-[(4-methylphenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
CID 53245528
3-(4-bromophenyl)-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-one
CID 92919266
3-(2-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one
CID 6614301
3-[(4-chlorophenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
CID 53245568
ethyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate
CID 23762682
benzyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate
CID 23878226
2-methyl-3-(pyridin-3-ylmethylideneamino)quinazolin-4-one
CID 882703
1-phenyl-2-[(E)-2-pyridin-3-ylethenyl]benzimidazole
CID 67621656
(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 7427800
ethane;(E)-3-pyridin-3-ylprop-2-enamide
CID 142465034
(Z)-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 91818540

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-3-yl]propanamide?
The IUPAC name of 2-[4-oxo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-3-yl]propanamide (CID 101020923) is 2-[4-oxo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-3-yl]propanamide.
What is the SMILES notation for 2-[4-oxo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-3-yl]propanamide?
The canonical SMILES for 2-[4-oxo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-3-yl]propanamide is CC(C(N)=O)n1c(/C=C/c2cccnc2)nc2ccccc2c1=O.
What is the InChIKey of 2-[4-oxo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-3-yl]propanamide?
The InChIKey is OGJGXQYIWGIDGK-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-12(17(19)23)22-16(9-8-13-5-4-10-20-11-13)21-15-7-3-2-6-14(15)18(22)24/h2-12H,1H3,(H2,19,23)/b9-8+.
What are the key properties of 2-[4-oxo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-3-yl]propanamide?
2-[4-oxo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-3-yl]propanamide has a molecular weight of 320.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-3-yl]propanamide is sourced from PubChem (CID 101020923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).