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

C19H15N3O — CID 135519192

IUPAC2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-3H-quinazolin-4-one
SMILESCc1[nH]c2ccccc2c1/C=C/c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H15N3O/c1-12-13(14-6-2-4-8-16(14)20-12)10-11-18-21-17-9-5-3-7-15(17)19(23)22-18/h2-11,20H,1H3,(H,21,22,23)/b11-10+
InChIKeyUWMJPIRPHSUNGN-ZHACJKMWSA-N
MW301.35 g/mol
LogP3.88
Rot. Bonds2

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

2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-3H-quinazolin-4-one (PubChem CID 135519192) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-3H-quinazolin-4-one
PubChem CID135519192
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-3H-quinazolin-4-one
SMILESCc1[nH]c2ccccc2c1/C=C/c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H15N3O/c1-12-13(14-6-2-4-8-16(14)20-12)10-11-18-21-17-9-5-3-7-15(17)19(23)22-18/h2-11,20H,1H3,(H,21,22,23)/b11-10+
InChIKeyUWMJPIRPHSUNGN-ZHACJKMWSA-N
XLogP3.88
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Rutaecarpine
CID 65752
Evodiamine
CID 442088
Rhetsinine
CID 99652
CK-666
CID 589075
3-Formyl-2-methylindole
CID 73166
7,8-Dehydrorutaecarpine
CID 148756
Isoevodiamine
CID 151289
LY-344864
CID 5311097
2-Phenylindole-3-carboxaldehyde
CID 613305
Luotonin A
CID 10334120
Fumiquinazoline F
CID 10089772
N-Phenyl-1H-indole-2-carboxamide
CID 589138

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-3H-quinazolin-4-one (CID 135519192) is 2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-3H-quinazolin-4-one is Cc1[nH]c2ccccc2c1/C=C/c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-3H-quinazolin-4-one?
The InChIKey is UWMJPIRPHSUNGN-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H15N3O/c1-12-13(14-6-2-4-8-16(14)20-12)10-11-18-21-17-9-5-3-7-15(17)19(23)22-18/h2-11,20H,1H3,(H,21,22,23)/b11-10+.
What are the key properties of 2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-3H-quinazolin-4-one?
2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-3H-quinazolin-4-one has a molecular weight of 301.35 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135519192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).