(8-chlorotetrazolo[1,5-a]quinolin-4-yl)-ethylcarbamic acid

C12H10ClN5O2 — CID 69329141

IUPAC(8-chlorotetrazolo[1,5-a]quinolin-4-yl)-ethylcarbamic acid
SMILESCCN(C(=O)O)c1cc2ccc(Cl)cc2n2nnnc12
InChIInChI=1S/C12H10ClN5O2/c1-2-17(12(19)20)10-5-7-3-4-8(13)6-9(7)18-11(10)14-15-16-18/h3-6H,2H2,1H3,(H,19,20)
InChIKeyKDAAQPPDISQRRE-UHFFFAOYSA-N
MW291.70 g/mol
LogP2.44
Rot. Bonds2

About (8-chlorotetrazolo[1,5-a]quinolin-4-yl)-ethylcarbamic acid

(8-chlorotetrazolo[1,5-a]quinolin-4-yl)-ethylcarbamic acid (PubChem CID 69329141) has the molecular formula C12H10ClN5O2 and a molecular weight of 291.70 g/mol. Its IUPAC name is (8-chlorotetrazolo[1,5-a]quinolin-4-yl)-ethylcarbamic acid.

Molecular Properties

Compound Name(8-chlorotetrazolo[1,5-a]quinolin-4-yl)-ethylcarbamic acid
PubChem CID69329141
Molecular FormulaC12H10ClN5O2
Molecular Weight291.70 g/mol
Exact Mass291.05
IUPAC Name(8-chlorotetrazolo[1,5-a]quinolin-4-yl)-ethylcarbamic acid
SMILESCCN(C(=O)O)c1cc2ccc(Cl)cc2n2nnnc12
InChIInChI=1S/C12H10ClN5O2/c1-2-17(12(19)20)10-5-7-3-4-8(13)6-9(7)18-11(10)14-15-16-18/h3-6H,2H2,1H3,(H,19,20)
InChIKeyKDAAQPPDISQRRE-UHFFFAOYSA-N
XLogP2.44
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.70
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8-chlorotetrazolo[1,5-a]quinolin-4-yl)-ethylcarbamic acid?
The IUPAC name of (8-chlorotetrazolo[1,5-a]quinolin-4-yl)-ethylcarbamic acid (CID 69329141) is (8-chlorotetrazolo[1,5-a]quinolin-4-yl)-ethylcarbamic acid.
What is the SMILES notation for (8-chlorotetrazolo[1,5-a]quinolin-4-yl)-ethylcarbamic acid?
The canonical SMILES for (8-chlorotetrazolo[1,5-a]quinolin-4-yl)-ethylcarbamic acid is CCN(C(=O)O)c1cc2ccc(Cl)cc2n2nnnc12.
What is the InChIKey of (8-chlorotetrazolo[1,5-a]quinolin-4-yl)-ethylcarbamic acid?
The InChIKey is KDAAQPPDISQRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O2/c1-2-17(12(19)20)10-5-7-3-4-8(13)6-9(7)18-11(10)14-15-16-18/h3-6H,2H2,1H3,(H,19,20).
What are the key properties of (8-chlorotetrazolo[1,5-a]quinolin-4-yl)-ethylcarbamic acid?
(8-chlorotetrazolo[1,5-a]quinolin-4-yl)-ethylcarbamic acid has a molecular weight of 291.70 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chlorotetrazolo[1,5-a]quinolin-4-yl)-ethylcarbamic acid is sourced from PubChem (CID 69329141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).