9-(2-chloroethoxy)tetrazolo[1,5-a]quinoline-4-carboxamide

C12H10ClN5O2 — CID 91205220

IUPAC9-(2-chloroethoxy)tetrazolo[1,5-a]quinoline-4-carboxamide
SMILESNC(=O)c1cc2cccc(OCCCl)c2n2nnnc12
InChIInChI=1S/C12H10ClN5O2/c13-4-5-20-9-3-1-2-7-6-8(11(14)19)12-15-16-17-18(12)10(7)9/h1-3,6H,4-5H2,(H2,14,19)
InChIKeyKKIWYMDQQUZOMS-UHFFFAOYSA-N
MW291.70 g/mol
LogP0.99
Rot. Bonds4

About 9-(2-chloroethoxy)tetrazolo[1,5-a]quinoline-4-carboxamide

9-(2-chloroethoxy)tetrazolo[1,5-a]quinoline-4-carboxamide (PubChem CID 91205220) has the molecular formula C12H10ClN5O2 and a molecular weight of 291.70 g/mol. Its IUPAC name is 9-(2-chloroethoxy)tetrazolo[1,5-a]quinoline-4-carboxamide.

Molecular Properties

Compound Name9-(2-chloroethoxy)tetrazolo[1,5-a]quinoline-4-carboxamide
PubChem CID91205220
Molecular FormulaC12H10ClN5O2
Molecular Weight291.70 g/mol
Exact Mass291.05
IUPAC Name9-(2-chloroethoxy)tetrazolo[1,5-a]quinoline-4-carboxamide
SMILESNC(=O)c1cc2cccc(OCCCl)c2n2nnnc12
InChIInChI=1S/C12H10ClN5O2/c13-4-5-20-9-3-1-2-7-6-8(11(14)19)12-15-16-17-18(12)10(7)9/h1-3,6H,4-5H2,(H2,14,19)
InChIKeyKKIWYMDQQUZOMS-UHFFFAOYSA-N
XLogP0.99
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.70
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(2-chloroethoxy)tetrazolo[1,5-a]quinoline-4-carboxamide?
The IUPAC name of 9-(2-chloroethoxy)tetrazolo[1,5-a]quinoline-4-carboxamide (CID 91205220) is 9-(2-chloroethoxy)tetrazolo[1,5-a]quinoline-4-carboxamide.
What is the SMILES notation for 9-(2-chloroethoxy)tetrazolo[1,5-a]quinoline-4-carboxamide?
The canonical SMILES for 9-(2-chloroethoxy)tetrazolo[1,5-a]quinoline-4-carboxamide is NC(=O)c1cc2cccc(OCCCl)c2n2nnnc12.
What is the InChIKey of 9-(2-chloroethoxy)tetrazolo[1,5-a]quinoline-4-carboxamide?
The InChIKey is KKIWYMDQQUZOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O2/c13-4-5-20-9-3-1-2-7-6-8(11(14)19)12-15-16-17-18(12)10(7)9/h1-3,6H,4-5H2,(H2,14,19).
What are the key properties of 9-(2-chloroethoxy)tetrazolo[1,5-a]quinoline-4-carboxamide?
9-(2-chloroethoxy)tetrazolo[1,5-a]quinoline-4-carboxamide has a molecular weight of 291.70 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-chloroethoxy)tetrazolo[1,5-a]quinoline-4-carboxamide is sourced from PubChem (CID 91205220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).