1-ethoxyimidazole;quinoline;hydrochloride

C14H16ClN3O — CID 174743695

IUPAC1-ethoxyimidazole;quinoline;hydrochloride
SMILESCCOn1ccnc1.Cl.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C5H8N2O.ClH/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-8-7-4-3-6-5-7;/h1-7H;3-5H,2H2,1H3;1H
InChIKeyBKVPEKKPTVANSX-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.99
Rot. Bonds2

About 1-ethoxyimidazole;quinoline;hydrochloride

1-ethoxyimidazole;quinoline;hydrochloride (PubChem CID 174743695) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 1-ethoxyimidazole;quinoline;hydrochloride.

Molecular Properties

Compound Name1-ethoxyimidazole;quinoline;hydrochloride
PubChem CID174743695
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name1-ethoxyimidazole;quinoline;hydrochloride
SMILESCCOn1ccnc1.Cl.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C5H8N2O.ClH/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-8-7-4-3-6-5-7;/h1-7H;3-5H,2H2,1H3;1H
InChIKeyBKVPEKKPTVANSX-UHFFFAOYSA-N
XLogP2.99
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxyimidazole;quinoline;hydrochloride?
The IUPAC name of 1-ethoxyimidazole;quinoline;hydrochloride (CID 174743695) is 1-ethoxyimidazole;quinoline;hydrochloride.
What is the SMILES notation for 1-ethoxyimidazole;quinoline;hydrochloride?
The canonical SMILES for 1-ethoxyimidazole;quinoline;hydrochloride is CCOn1ccnc1.Cl.c1ccc2ncccc2c1.
What is the InChIKey of 1-ethoxyimidazole;quinoline;hydrochloride?
The InChIKey is BKVPEKKPTVANSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C5H8N2O.ClH/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-8-7-4-3-6-5-7;/h1-7H;3-5H,2H2,1H3;1H.
What are the key properties of 1-ethoxyimidazole;quinoline;hydrochloride?
1-ethoxyimidazole;quinoline;hydrochloride has a molecular weight of 277.76 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyimidazole;quinoline;hydrochloride is sourced from PubChem (CID 174743695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).