2-(4-oxo-3H-quinazolin-2-yl)-1H-indole-3-carbaldehyde

C17H11N3O2 — CID 135800540

IUPAC2-(4-oxo-3H-quinazolin-2-yl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2nc3ccccc3c(=O)[nH]2)[nH]c2ccccc12
InChIInChI=1S/C17H11N3O2/c21-9-12-10-5-1-3-7-13(10)18-15(12)16-19-14-8-4-2-6-11(14)17(22)20-16/h1-9,18H,(H,19,20,22)
InChIKeyZDTNFKKWSCJPNF-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.88
Rot. Bonds2

About 2-(4-oxo-3H-quinazolin-2-yl)-1H-indole-3-carbaldehyde

2-(4-oxo-3H-quinazolin-2-yl)-1H-indole-3-carbaldehyde (PubChem CID 135800540) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-(4-oxo-3H-quinazolin-2-yl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-oxo-3H-quinazolin-2-yl)-1H-indole-3-carbaldehyde
PubChem CID135800540
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Name2-(4-oxo-3H-quinazolin-2-yl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2nc3ccccc3c(=O)[nH]2)[nH]c2ccccc12
InChIInChI=1S/C17H11N3O2/c21-9-12-10-5-1-3-7-13(10)18-15(12)16-19-14-8-4-2-6-11(14)17(22)20-16/h1-9,18H,(H,19,20,22)
InChIKeyZDTNFKKWSCJPNF-UHFFFAOYSA-N
XLogP2.88
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Rutaecarpine
CID 65752
3-Formyl-2-methylindole
CID 73166
7,8-Dehydrorutaecarpine
CID 148756
2-Phenylindole-3-carboxaldehyde
CID 613305
Luotonin A
CID 10334120
Fumiquinazoline F
CID 10089772
3-(1H-indol-2-yl)-1,2-dihydroquinolin-2-one
CID 5329371
Evodiamine, derivative of
CID 156372
1-(2-Phenyl-1H-indol-3-yl)ethanone
CID 613364
Phenyl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 363110
2,3-Dimethyl-4-[3-[(1-oxo-2-propen-1-yl)amino]phenyl]-1H-indole-7-carboxamide
CID 121293751
2-methyl-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-1H-indole-7-carboxamide
CID 121293832

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3H-quinazolin-2-yl)-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(4-oxo-3H-quinazolin-2-yl)-1H-indole-3-carbaldehyde (CID 135800540) is 2-(4-oxo-3H-quinazolin-2-yl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(4-oxo-3H-quinazolin-2-yl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(4-oxo-3H-quinazolin-2-yl)-1H-indole-3-carbaldehyde is O=Cc1c(-c2nc3ccccc3c(=O)[nH]2)[nH]c2ccccc12.
What is the InChIKey of 2-(4-oxo-3H-quinazolin-2-yl)-1H-indole-3-carbaldehyde?
The InChIKey is ZDTNFKKWSCJPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2/c21-9-12-10-5-1-3-7-13(10)18-15(12)16-19-14-8-4-2-6-11(14)17(22)20-16/h1-9,18H,(H,19,20,22).
What are the key properties of 2-(4-oxo-3H-quinazolin-2-yl)-1H-indole-3-carbaldehyde?
2-(4-oxo-3H-quinazolin-2-yl)-1H-indole-3-carbaldehyde has a molecular weight of 289.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3H-quinazolin-2-yl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 135800540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).