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

C23H25N5O2 — CID 5020448

IUPACN-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCCC(=O)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2n2nnnc12
InChIInChI=1S/C23H25N5O2/c1-5-21(29)27(13-17-6-8-20(30-4)9-7-17)14-19-12-18-11-15(2)10-16(3)22(18)28-23(19)24-25-26-28/h6-12H,5,13-14H2,1-4H3
InChIKeyABDYQYNKHFHICF-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.84
Rot. Bonds6

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

N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 5020448) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID5020448
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCCC(=O)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2n2nnnc12
InChIInChI=1S/C23H25N5O2/c1-5-21(29)27(13-17-6-8-20(30-4)9-7-17)14-19-12-18-11-15(2)10-16(3)22(18)28-23(19)24-25-26-28/h6-12H,5,13-14H2,1-4H3
InChIKeyABDYQYNKHFHICF-UHFFFAOYSA-N
XLogP3.84
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 5020449
N-cyclohexyl-N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxyacetamide
CID 1459438
N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46988817
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-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide
CID 1459597
N-benzyl-N-[(7-ethoxytetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide
CID 43813502
N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 1466370
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride
CID 171668574
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
CID 1459629
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]-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]propanamide (CID 5020448) is N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]propanamide is CCC(=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]-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is ABDYQYNKHFHICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-5-21(29)27(13-17-6-8-20(30-4)9-7-17)14-19-12-18-11-15(2)10-16(3)22(18)28-23(19)24-25-26-28/h6-12H,5,13-14H2,1-4H3.
What are the key properties of N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]propanamide?
N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 403.49 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 5020448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).