2-[(E)-2-(5-cyclohexa-2,4-dien-1-yl-1H-imidazol-2-yl)ethenyl]-3-methylquinazolin-4-one

C20H18N4O — CID 163905601

IUPAC2-[(E)-2-(5-cyclohexa-2,4-dien-1-yl-1H-imidazol-2-yl)ethenyl]-3-methylquinazolin-4-one
SMILESCn1c(/C=C/c2ncc(C3C=CC=CC3)[nH]2)nc2ccccc2c1=O
InChIInChI=1S/C20H18N4O/c1-24-19(23-16-10-6-5-9-15(16)20(24)25)12-11-18-21-13-17(22-18)14-7-3-2-4-8-14/h2-7,9-14H,8H2,1H3,(H,21,22)/b12-11+
InChIKeyQNPXDGXJKSNYGB-VAWYXSNFSA-N
MW330.39 g/mol
LogP3.43
Rot. Bonds3

About 2-[(E)-2-(5-cyclohexa-2,4-dien-1-yl-1H-imidazol-2-yl)ethenyl]-3-methylquinazolin-4-one

2-[(E)-2-(5-cyclohexa-2,4-dien-1-yl-1H-imidazol-2-yl)ethenyl]-3-methylquinazolin-4-one (PubChem CID 163905601) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[(E)-2-(5-cyclohexa-2,4-dien-1-yl-1H-imidazol-2-yl)ethenyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(5-cyclohexa-2,4-dien-1-yl-1H-imidazol-2-yl)ethenyl]-3-methylquinazolin-4-one
PubChem CID163905601
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name2-[(E)-2-(5-cyclohexa-2,4-dien-1-yl-1H-imidazol-2-yl)ethenyl]-3-methylquinazolin-4-one
SMILESCn1c(/C=C/c2ncc(C3C=CC=CC3)[nH]2)nc2ccccc2c1=O
InChIInChI=1S/C20H18N4O/c1-24-19(23-16-10-6-5-9-15(16)20(24)25)12-11-18-21-13-17(22-18)14-7-3-2-4-8-14/h2-7,9-14H,8H2,1H3,(H,21,22)/b12-11+
InChIKeyQNPXDGXJKSNYGB-VAWYXSNFSA-N
XLogP3.43
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(5-cyclohexa-2,4-dien-1-yl-1H-imidazol-2-yl)ethenyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[(E)-2-(5-cyclohexa-2,4-dien-1-yl-1H-imidazol-2-yl)ethenyl]-3-methylquinazolin-4-one (CID 163905601) is 2-[(E)-2-(5-cyclohexa-2,4-dien-1-yl-1H-imidazol-2-yl)ethenyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(5-cyclohexa-2,4-dien-1-yl-1H-imidazol-2-yl)ethenyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(5-cyclohexa-2,4-dien-1-yl-1H-imidazol-2-yl)ethenyl]-3-methylquinazolin-4-one is Cn1c(/C=C/c2ncc(C3C=CC=CC3)[nH]2)nc2ccccc2c1=O.
What is the InChIKey of 2-[(E)-2-(5-cyclohexa-2,4-dien-1-yl-1H-imidazol-2-yl)ethenyl]-3-methylquinazolin-4-one?
The InChIKey is QNPXDGXJKSNYGB-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H18N4O/c1-24-19(23-16-10-6-5-9-15(16)20(24)25)12-11-18-21-13-17(22-18)14-7-3-2-4-8-14/h2-7,9-14H,8H2,1H3,(H,21,22)/b12-11+.
What are the key properties of 2-[(E)-2-(5-cyclohexa-2,4-dien-1-yl-1H-imidazol-2-yl)ethenyl]-3-methylquinazolin-4-one?
2-[(E)-2-(5-cyclohexa-2,4-dien-1-yl-1H-imidazol-2-yl)ethenyl]-3-methylquinazolin-4-one has a molecular weight of 330.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5-cyclohexa-2,4-dien-1-yl-1H-imidazol-2-yl)ethenyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 163905601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).