N-cyclohexyl-N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxyacetamide

C21H27N5O2 — CID 1459438

IUPACN-cyclohexyl-N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxyacetamide
SMILESCOCC(=O)N(Cc1cc2cc(C)cc(C)c2n2nnnc12)C1CCCCC1
InChIInChI=1S/C21H27N5O2/c1-14-9-15(2)20-16(10-14)11-17(21-22-23-24-26(20)21)12-25(19(27)13-28-3)18-7-5-4-6-8-18/h9-11,18H,4-8,12-13H2,1-3H3
InChIKeyOWQYJYCVCIMAGP-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.20
Rot. Bonds5

About N-cyclohexyl-N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxyacetamide

N-cyclohexyl-N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxyacetamide (PubChem CID 1459438) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-cyclohexyl-N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxyacetamide
PubChem CID1459438
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-cyclohexyl-N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxyacetamide
SMILESCOCC(=O)N(Cc1cc2cc(C)cc(C)c2n2nnnc12)C1CCCCC1
InChIInChI=1S/C21H27N5O2/c1-14-9-15(2)20-16(10-14)11-17(21-22-23-24-26(20)21)12-25(19(27)13-28-3)18-7-5-4-6-8-18/h9-11,18H,4-8,12-13H2,1-3H3
InChIKeyOWQYJYCVCIMAGP-UHFFFAOYSA-N
XLogP3.20
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxyacetamide?
The IUPAC name of N-cyclohexyl-N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxyacetamide (CID 1459438) is N-cyclohexyl-N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxyacetamide.
What is the SMILES notation for N-cyclohexyl-N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxyacetamide?
The canonical SMILES for N-cyclohexyl-N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxyacetamide is COCC(=O)N(Cc1cc2cc(C)cc(C)c2n2nnnc12)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxyacetamide?
The InChIKey is OWQYJYCVCIMAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-14-9-15(2)20-16(10-14)11-17(21-22-23-24-26(20)21)12-25(19(27)13-28-3)18-7-5-4-6-8-18/h9-11,18H,4-8,12-13H2,1-3H3.
What are the key properties of N-cyclohexyl-N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxyacetamide?
N-cyclohexyl-N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxyacetamide has a molecular weight of 381.48 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxyacetamide is sourced from PubChem (CID 1459438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).