(8-chlorotetrazolo[1,5-a]quinolin-4-yl) N-benzylcarbamate

C17H12ClN5O2 — CID 91499350

IUPAC(8-chlorotetrazolo[1,5-a]quinolin-4-yl) N-benzylcarbamate
SMILESO=C(NCc1ccccc1)Oc1cc2ccc(Cl)cc2n2nnnc12
InChIInChI=1S/C17H12ClN5O2/c18-13-7-6-12-8-15(16-20-21-22-23(16)14(12)9-13)25-17(24)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,24)
InChIKeyVJPOLLNRWRDDTO-UHFFFAOYSA-N
MW353.77 g/mol
LogP3.22
Rot. Bonds3

About (8-chlorotetrazolo[1,5-a]quinolin-4-yl) N-benzylcarbamate

(8-chlorotetrazolo[1,5-a]quinolin-4-yl) N-benzylcarbamate (PubChem CID 91499350) has the molecular formula C17H12ClN5O2 and a molecular weight of 353.77 g/mol. Its IUPAC name is (8-chlorotetrazolo[1,5-a]quinolin-4-yl) N-benzylcarbamate.

Molecular Properties

Compound Name(8-chlorotetrazolo[1,5-a]quinolin-4-yl) N-benzylcarbamate
PubChem CID91499350
Molecular FormulaC17H12ClN5O2
Molecular Weight353.77 g/mol
Exact Mass353.07
IUPAC Name(8-chlorotetrazolo[1,5-a]quinolin-4-yl) N-benzylcarbamate
SMILESO=C(NCc1ccccc1)Oc1cc2ccc(Cl)cc2n2nnnc12
InChIInChI=1S/C17H12ClN5O2/c18-13-7-6-12-8-15(16-20-21-22-23(16)14(12)9-13)25-17(24)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,24)
InChIKeyVJPOLLNRWRDDTO-UHFFFAOYSA-N
XLogP3.22
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzyl-5-chlorotetrazolo[1,5-a]quinoline
CID 2785135
(7-hydroxy-8-methyl-2-oxochromen-3-yl) N-benzylcarbamate
CID 87265834
(5-tert-butyltriazin-4-yl) N-benzylcarbamate
CID 175480077
(2,5-dichlorophenyl) N-[(3,5-dimethoxyphenyl)methyl]carbamate
CID 39846904
1-benzyl-6-chloro-2-methylindole
CID 121404424
(2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate
CID 19873104
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
CID 1459629
benzene;ethyl N-benzylcarbamate
CID 67715166
[4-[(2-amino-4-pyridinyl)oxy]-2-fluorophenyl] N-benzylcarbamate
CID 91573991
(4-phenylphenyl) N-benzylcarbamate
CID 25174478
(4-methylphenyl) N-benzylcarbamate
CID 14292552
N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide
CID 56920126

Frequently Asked Questions

What is the IUPAC name of (8-chlorotetrazolo[1,5-a]quinolin-4-yl) N-benzylcarbamate?
The IUPAC name of (8-chlorotetrazolo[1,5-a]quinolin-4-yl) N-benzylcarbamate (CID 91499350) is (8-chlorotetrazolo[1,5-a]quinolin-4-yl) N-benzylcarbamate.
What is the SMILES notation for (8-chlorotetrazolo[1,5-a]quinolin-4-yl) N-benzylcarbamate?
The canonical SMILES for (8-chlorotetrazolo[1,5-a]quinolin-4-yl) N-benzylcarbamate is O=C(NCc1ccccc1)Oc1cc2ccc(Cl)cc2n2nnnc12.
What is the InChIKey of (8-chlorotetrazolo[1,5-a]quinolin-4-yl) N-benzylcarbamate?
The InChIKey is VJPOLLNRWRDDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O2/c18-13-7-6-12-8-15(16-20-21-22-23(16)14(12)9-13)25-17(24)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,24).
What are the key properties of (8-chlorotetrazolo[1,5-a]quinolin-4-yl) N-benzylcarbamate?
(8-chlorotetrazolo[1,5-a]quinolin-4-yl) N-benzylcarbamate has a molecular weight of 353.77 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chlorotetrazolo[1,5-a]quinolin-4-yl) N-benzylcarbamate is sourced from PubChem (CID 91499350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).