6,12-dioxoindolo[2,1-b]quinazoline-2-carbaldehyde

C16H8N2O3 — CID 166441954

IUPAC6,12-dioxoindolo[2,1-b]quinazoline-2-carbaldehyde
SMILESO=Cc1ccc2nc3n(c(=O)c2c1)-c1ccccc1C3=O
InChIInChI=1S/C16H8N2O3/c19-8-9-5-6-12-11(7-9)16(21)18-13-4-2-1-3-10(13)14(20)15(18)17-12/h1-8H
InChIKeyNTOUAPPKLBADHU-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.74
Rot. Bonds1

About 6,12-dioxoindolo[2,1-b]quinazoline-2-carbaldehyde

6,12-dioxoindolo[2,1-b]quinazoline-2-carbaldehyde (PubChem CID 166441954) has the molecular formula C16H8N2O3 and a molecular weight of 276.25 g/mol. Its IUPAC name is 6,12-dioxoindolo[2,1-b]quinazoline-2-carbaldehyde.

Molecular Properties

Compound Name6,12-dioxoindolo[2,1-b]quinazoline-2-carbaldehyde
PubChem CID166441954
Molecular FormulaC16H8N2O3
Molecular Weight276.25 g/mol
Exact Mass276.05
IUPAC Name6,12-dioxoindolo[2,1-b]quinazoline-2-carbaldehyde
SMILESO=Cc1ccc2nc3n(c(=O)c2c1)-c1ccccc1C3=O
InChIInChI=1S/C16H8N2O3/c19-8-9-5-6-12-11(7-9)16(21)18-13-4-2-1-3-10(13)14(20)15(18)17-12/h1-8H
InChIKeyNTOUAPPKLBADHU-UHFFFAOYSA-N
XLogP1.74
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6,12-dioxoindolo[2,1-b]quinazoline-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6,12-dioxoindolo[2,1-b]quinazolin-2-yl)phosphonic acid
CID 67774120
2,8-dibromoindolo[2,1-b]quinazoline-6,12-dione
CID 4576960
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]indolo[2,1-b]quinazoline-6,12-dione
CID 163394833
8-bromo-2-chloroindolo[2,1-b]quinazoline-6,12-dione
CID 86003970
2,3-diphenyl-6-tetraphenylen-2-ylquinazolin-4-one
CID 121247322
8-benzylsulfanyl-3-fluoroindolo[2,1-b]quinazoline-6,12-dione
CID 169263906
6-methoxyiminoindolo[2,1-b]quinazolin-12-one
CID 73349845
2-(aminomethyl)-6,12-dioxoindolo[2,1-b]quinazoline-8-carbonitrile
CID 169263878
2-(2-chlorophenyl)-3-(2-hydroxyphenyl)quinazolin-4-one
CID 716325
6-amino-3-(2-aminophenyl)-2-methylquinazolin-4-one
CID 154094682
2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione
CID 123199900
14-iodo-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione
CID 505836

Frequently Asked Questions

What is the IUPAC name of 6,12-dioxoindolo[2,1-b]quinazoline-2-carbaldehyde?
The IUPAC name of 6,12-dioxoindolo[2,1-b]quinazoline-2-carbaldehyde (CID 166441954) is 6,12-dioxoindolo[2,1-b]quinazoline-2-carbaldehyde.
What is the SMILES notation for 6,12-dioxoindolo[2,1-b]quinazoline-2-carbaldehyde?
The canonical SMILES for 6,12-dioxoindolo[2,1-b]quinazoline-2-carbaldehyde is O=Cc1ccc2nc3n(c(=O)c2c1)-c1ccccc1C3=O.
What is the InChIKey of 6,12-dioxoindolo[2,1-b]quinazoline-2-carbaldehyde?
The InChIKey is NTOUAPPKLBADHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8N2O3/c19-8-9-5-6-12-11(7-9)16(21)18-13-4-2-1-3-10(13)14(20)15(18)17-12/h1-8H.
What are the key properties of 6,12-dioxoindolo[2,1-b]quinazoline-2-carbaldehyde?
6,12-dioxoindolo[2,1-b]quinazoline-2-carbaldehyde has a molecular weight of 276.25 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-dioxoindolo[2,1-b]quinazoline-2-carbaldehyde is sourced from PubChem (CID 166441954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).