CID 90466535

C12H12ClN2O2Se — CID 90466535

IUPAC—
SMILESCCOc1cc2nc(Cl)nc([Se])c2cc1OCC
InChIInChI=1S/C12H12ClN2O2Se/c1-3-16-9-5-7-8(6-10(9)17-4-2)14-12(13)15-11(7)18/h5-6H,3-4H2,1-2H3
InChIKeyRYSZRKZAVMCMLO-UHFFFAOYSA-N
MW330.65 g/mol
LogP1.87
Rot. Bonds4

About CID 90466535

CID 90466535 (PubChem CID 90466535) has the molecular formula C12H12ClN2O2Se and a molecular weight of 330.65 g/mol.

Molecular Properties

Compound NameCID 90466535
PubChem CID90466535
Molecular FormulaC12H12ClN2O2Se
Molecular Weight330.65 g/mol
Exact Mass330.98
IUPAC Name—
SMILESCCOc1cc2nc(Cl)nc([Se])c2cc1OCC
InChIInChI=1S/C12H12ClN2O2Se/c1-3-16-9-5-7-8(6-10(9)17-4-2)14-12(13)15-11(7)18/h5-6H,3-4H2,1-2H3
InChIKeyRYSZRKZAVMCMLO-UHFFFAOYSA-N
XLogP1.87
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 90466530
CID 90466530
CID 90466532
CID 90466532
2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine
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2-chloro-6-ethoxy-7-methoxyquinazoline
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2-(4-chloro-6,7-diethoxyquinazolin-2-yl)acetic acid
CID 11833873
2,4-dichloro-6-methoxy-7-propoxyquinazoline
CID 21330888
4-chloro-6,7-diethoxy-2-(2-methylpropyl)quinazoline
CID 10859828
2-chloro-6-ethoxy-N-(furan-2-ylmethyl)-7-methoxyquinazolin-4-amine
CID 171562089
2-benzyl-4-chloro-6,7-diethoxyquinazoline
CID 11057018
2-(2-chlorophenyl)-6,7-diethoxy-3,1-benzoxazin-4-one
CID 8012933
6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one
CID 137010023
4-chloro-6,7-diethoxyquinoline-3-carbonitrile
CID 10778872

Frequently Asked Questions

What is the IUPAC name of CID 90466535?
The IUPAC name of CID 90466535 (CID 90466535) is not available.
What is the SMILES notation for CID 90466535?
The canonical SMILES for CID 90466535 is CCOc1cc2nc(Cl)nc([Se])c2cc1OCC.
What is the InChIKey of CID 90466535?
The InChIKey is RYSZRKZAVMCMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN2O2Se/c1-3-16-9-5-7-8(6-10(9)17-4-2)14-12(13)15-11(7)18/h5-6H,3-4H2,1-2H3.
What are the key properties of CID 90466535?
CID 90466535 has a molecular weight of 330.65 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90466535 is sourced from PubChem (CID 90466535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).