2-[(E)-2-(1-ethylindol-3-yl)ethenyl]-3H-quinazolin-4-one

C20H17N3O — CID 135584613

IUPAC2-[(E)-2-(1-ethylindol-3-yl)ethenyl]-3H-quinazolin-4-one
SMILESCCn1cc(/C=C/c2nc3ccccc3c(=O)[nH]2)c2ccccc21
InChIInChI=1S/C20H17N3O/c1-2-23-13-14(15-7-4-6-10-18(15)23)11-12-19-21-17-9-5-3-8-16(17)20(24)22-19/h3-13H,2H2,1H3,(H,21,22,24)/b12-11+
InChIKeySCXVMHLKMPTNFY-VAWYXSNFSA-N
MW315.38 g/mol
LogP4.07
Rot. Bonds3

About 2-[(E)-2-(1-ethylindol-3-yl)ethenyl]-3H-quinazolin-4-one

2-[(E)-2-(1-ethylindol-3-yl)ethenyl]-3H-quinazolin-4-one (PubChem CID 135584613) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[(E)-2-(1-ethylindol-3-yl)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(1-ethylindol-3-yl)ethenyl]-3H-quinazolin-4-one
PubChem CID135584613
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name2-[(E)-2-(1-ethylindol-3-yl)ethenyl]-3H-quinazolin-4-one
SMILESCCn1cc(/C=C/c2nc3ccccc3c(=O)[nH]2)c2ccccc21
InChIInChI=1S/C20H17N3O/c1-2-23-13-14(15-7-4-6-10-18(15)23)11-12-19-21-17-9-5-3-8-16(17)20(24)22-19/h3-13H,2H2,1H3,(H,21,22,24)/b12-11+
InChIKeySCXVMHLKMPTNFY-VAWYXSNFSA-N
XLogP4.07
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(1-ethylindol-3-yl)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(E)-2-(1-ethylindol-3-yl)ethenyl]-3H-quinazolin-4-one (CID 135584613) is 2-[(E)-2-(1-ethylindol-3-yl)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(1-ethylindol-3-yl)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(1-ethylindol-3-yl)ethenyl]-3H-quinazolin-4-one is CCn1cc(/C=C/c2nc3ccccc3c(=O)[nH]2)c2ccccc21.
What is the InChIKey of 2-[(E)-2-(1-ethylindol-3-yl)ethenyl]-3H-quinazolin-4-one?
The InChIKey is SCXVMHLKMPTNFY-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H17N3O/c1-2-23-13-14(15-7-4-6-10-18(15)23)11-12-19-21-17-9-5-3-8-16(17)20(24)22-19/h3-13H,2H2,1H3,(H,21,22,24)/b12-11+.
What are the key properties of 2-[(E)-2-(1-ethylindol-3-yl)ethenyl]-3H-quinazolin-4-one?
2-[(E)-2-(1-ethylindol-3-yl)ethenyl]-3H-quinazolin-4-one has a molecular weight of 315.38 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(1-ethylindol-3-yl)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135584613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).