CID 163548415

C9H6BIN2O — CID 163548415

IUPAC—
SMILES[B]n1c(C)nc2ccc(I)cc2c1=O
InChIInChI=1S/C9H6BIN2O/c1-5-12-8-3-2-6(11)4-7(8)9(14)13(5)10/h2-4H,1H3
InChIKeyFGYHRXCQGIFMCO-UHFFFAOYSA-N
MW295.88 g/mol
LogP1.24
Rot. Bonds

About CID 163548415

CID 163548415 (PubChem CID 163548415) has the molecular formula C9H6BIN2O and a molecular weight of 295.88 g/mol.

Molecular Properties

Compound NameCID 163548415
PubChem CID163548415
Molecular FormulaC9H6BIN2O
Molecular Weight295.88 g/mol
Exact Mass295.96
IUPAC Name—
SMILES[B]n1c(C)nc2ccc(I)cc2c1=O
InChIInChI=1S/C9H6BIN2O/c1-5-12-8-3-2-6(11)4-7(8)9(14)13(5)10/h2-4H,1H3
InChIKeyFGYHRXCQGIFMCO-UHFFFAOYSA-N
XLogP1.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.88
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)butanoate
CID 71432068
4-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)benzoic acid
CID 2214505
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-iodo-2-methylquinazolin-4-one
CID 1258831
6-iodo-2-methyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 1070659
9-iodo-3-methyl-2H-benzo[f]quinazolin-1-one
CID 135838229
2-ethyl-3-(2-fluorophenyl)-6-iodoquinazolin-4-one
CID 1290191
2-amino-3-(2-fluoro-4-methylphenyl)-6-iodoquinazolin-4-one
CID 67982009
7-iodo-2-methyl-3H-quinazolin-4-one
CID 135742316
4-bromo-6-iodo-2-methylquinazoline
CID 106584118
6-iodo-2-methylquinolin-4-amine
CID 62201802
3-(4-bromophenyl)-2-chloro-6-iodoquinazolin-4-one
CID 67982198
ethyl N-(6-iodo-4-oxo-2-phenylquinazolin-3-yl)carbamate
CID 10526860

Frequently Asked Questions

What is the IUPAC name of CID 163548415?
The IUPAC name of CID 163548415 (CID 163548415) is not available.
What is the SMILES notation for CID 163548415?
The canonical SMILES for CID 163548415 is [B]n1c(C)nc2ccc(I)cc2c1=O.
What is the InChIKey of CID 163548415?
The InChIKey is FGYHRXCQGIFMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BIN2O/c1-5-12-8-3-2-6(11)4-7(8)9(14)13(5)10/h2-4H,1H3.
What are the key properties of CID 163548415?
CID 163548415 has a molecular weight of 295.88 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163548415 is sourced from PubChem (CID 163548415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).