6-methoxyiminoindolo[2,1-b]quinazolin-12-one

C16H11N3O2 — CID 73349845

IUPAC6-methoxyiminoindolo[2,1-b]quinazolin-12-one
SMILESCON=C1c2ccccc2-n2c1nc1ccccc1c2=O
InChIInChI=1S/C16H11N3O2/c1-21-18-14-11-7-3-5-9-13(11)19-15(14)17-12-8-4-2-6-10(12)16(19)20/h2-9H,1H3
InChIKeyJLFDHCDFCUATDJ-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.10
Rot. Bonds1

About 6-methoxyiminoindolo[2,1-b]quinazolin-12-one

6-methoxyiminoindolo[2,1-b]quinazolin-12-one (PubChem CID 73349845) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 6-methoxyiminoindolo[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name6-methoxyiminoindolo[2,1-b]quinazolin-12-one
PubChem CID73349845
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name6-methoxyiminoindolo[2,1-b]quinazolin-12-one
SMILESCON=C1c2ccccc2-n2c1nc1ccccc1c2=O
InChIInChI=1S/C16H11N3O2/c1-21-18-14-11-7-3-5-9-13(11)19-15(14)17-12-8-4-2-6-10(12)16(19)20/h2-9H,1H3
InChIKeyJLFDHCDFCUATDJ-UHFFFAOYSA-N
XLogP2.10
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-bromo-6-methoxyiminoindolo[2,1-b]quinazolin-12-one
CID 73348272
2-(2-chlorophenyl)-3-(2-hydroxyphenyl)quinazolin-4-one
CID 716325
3-amino-2-(2-methoxyphenyl)quinazolin-4-one
CID 805125
(6E)-3-[(aminosulfanylamino)methyl]-8-fluoro-6-methoxyiminoindolo[2,1-b]quinazolin-12-one
CID 169263808
3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methylquinazolin-4-one
CID 71327930
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
3-(2-chlorophenyl)-2-(2-nitrophenyl)quinazolin-4-one
CID 1417209
2-phenyl-3-quinolin-5-ylquinazolin-4-one
CID 12722024
3-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]-2-methylquinazolin-4-one
CID 6508433
(2S)-1-(12-oxoindolo[2,1-b]quinazolin-6-ylidene)pyrrolidin-1-ium-2-carboxylic acid
CID 138963543
3-(2-chloro-3-pyridinyl)-2-phenylquinazolin-4-one
CID 134092940
2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 829457

Frequently Asked Questions

What is the IUPAC name of 6-methoxyiminoindolo[2,1-b]quinazolin-12-one?
The IUPAC name of 6-methoxyiminoindolo[2,1-b]quinazolin-12-one (CID 73349845) is 6-methoxyiminoindolo[2,1-b]quinazolin-12-one.
What is the SMILES notation for 6-methoxyiminoindolo[2,1-b]quinazolin-12-one?
The canonical SMILES for 6-methoxyiminoindolo[2,1-b]quinazolin-12-one is CON=C1c2ccccc2-n2c1nc1ccccc1c2=O.
What is the InChIKey of 6-methoxyiminoindolo[2,1-b]quinazolin-12-one?
The InChIKey is JLFDHCDFCUATDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c1-21-18-14-11-7-3-5-9-13(11)19-15(14)17-12-8-4-2-6-10(12)16(19)20/h2-9H,1H3.
What are the key properties of 6-methoxyiminoindolo[2,1-b]quinazolin-12-one?
6-methoxyiminoindolo[2,1-b]quinazolin-12-one has a molecular weight of 277.28 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyiminoindolo[2,1-b]quinazolin-12-one is sourced from PubChem (CID 73349845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).