N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide

C23H25N5O3 — CID 5020449

IUPACN-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOCC(=O)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2n2nnnc12
InChIInChI=1S/C23H25N5O3/c1-15-9-16(2)22-18(10-15)11-19(23-24-25-26-28(22)23)13-27(21(29)14-30-3)12-17-5-7-20(31-4)8-6-17/h5-11H,12-14H2,1-4H3
InChIKeyRXHTYJFVHDINOL-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.08
Rot. Bonds7

About N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide

N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 5020449) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID5020449
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOCC(=O)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2n2nnnc12
InChIInChI=1S/C23H25N5O3/c1-15-9-16(2)22-18(10-15)11-19(23-24-25-26-28(22)23)13-27(21(29)14-30-3)12-17-5-7-20(31-4)8-6-17/h5-11H,12-14H2,1-4H3
InChIKeyRXHTYJFVHDINOL-UHFFFAOYSA-N
XLogP3.08
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 5020448
N-cyclohexyl-N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxyacetamide
CID 1459438
N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide
CID 1459597
2-methoxy-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 1459552
N-benzyl-2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 43813460
N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
CID 1466226
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(2-phenylethyl)pyridine-4-carboxamide
CID 1466287
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyacetamide
CID 3216958
N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 1466370
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
CID 1459629
3-[(2-methoxyacetyl)-[(4-methoxyphenyl)methyl]amino]-2-methylpropanoic acid
CID 82325734
N-[(2-methoxyphenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
CID 1466328

Frequently Asked Questions

What is the IUPAC name of N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide (CID 5020449) is N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide is COCC(=O)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2n2nnnc12.
What is the InChIKey of N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is RXHTYJFVHDINOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-15-9-16(2)22-18(10-15)11-19(23-24-25-26-28(22)23)13-27(21(29)14-30-3)12-17-5-7-20(31-4)8-6-17/h5-11H,12-14H2,1-4H3.
What are the key properties of N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide?
N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 419.49 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 5020449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).