CID 90466532

C10H8ClN2NaO2Se — CID 90466532

IUPAC—
SMILESCOc1cc2nc(Cl)nc([Se])c2cc1OC.[Na]
InChIInChI=1S/C10H8ClN2O2Se.Na/c1-14-7-3-5-6(4-8(7)15-2)12-10(11)13-9(5)16;/h3-4H,1-2H3;
InChIKeyDNWIGQYQHQRROW-UHFFFAOYSA-N
MW325.59 g/mol
LogP0.71
Rot. Bonds2

About CID 90466532

CID 90466532 (PubChem CID 90466532) has the molecular formula C10H8ClN2NaO2Se and a molecular weight of 325.59 g/mol.

Molecular Properties

Compound NameCID 90466532
PubChem CID90466532
Molecular FormulaC10H8ClN2NaO2Se
Molecular Weight325.59 g/mol
Exact Mass325.93
IUPAC Name—
SMILESCOc1cc2nc(Cl)nc([Se])c2cc1OC.[Na]
InChIInChI=1S/C10H8ClN2O2Se.Na/c1-14-7-3-5-6(4-8(7)15-2)12-10(11)13-9(5)16;/h3-4H,1-2H3;
InChIKeyDNWIGQYQHQRROW-UHFFFAOYSA-N
XLogP0.71
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 50.71
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 90466535
CID 90466535
2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 45262047
2,4-dichloro-6-methoxy-7-propoxyquinazoline
CID 21330888
2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine
CID 91756722
2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine
CID 22692592
2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine
CID 114693438
N-butyl-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22692586
2-chloro-N-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22692700
4-chloro-6,7-dimethoxy-2-methylquinoline
CID 39732475
7-bromo-2,4-dichloro-6-methoxyquinazoline
CID 155682427
2,3,6,7-tetramethoxy-9-methylacridine
CID 46187785
4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22693012

Frequently Asked Questions

What is the IUPAC name of CID 90466532?
The IUPAC name of CID 90466532 (CID 90466532) is not available.
What is the SMILES notation for CID 90466532?
The canonical SMILES for CID 90466532 is COc1cc2nc(Cl)nc([Se])c2cc1OC.[Na].
What is the InChIKey of CID 90466532?
The InChIKey is DNWIGQYQHQRROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN2O2Se.Na/c1-14-7-3-5-6(4-8(7)15-2)12-10(11)13-9(5)16;/h3-4H,1-2H3;.
What are the key properties of CID 90466532?
CID 90466532 has a molecular weight of 325.59 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90466532 is sourced from PubChem (CID 90466532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).