N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride

C21H21ClN6O — CID 171668574

IUPACN-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride
SMILESCc1cccc2cc(CN(Cc3cccnc3)C(=O)C3CC3)c3nnnn3c12.Cl
InChIInChI=1S/C21H20N6O.ClH/c1-14-4-2-6-17-10-18(20-23-24-25-27(20)19(14)17)13-26(21(28)16-7-8-16)12-15-5-3-9-22-11-15;/h2-6,9-11,16H,7-8,12-13H2,1H3;1H
InChIKeyMMKGZHQPJBOEGW-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.34
Rot. Bonds5

About N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride

N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride (PubChem CID 171668574) has the molecular formula C21H21ClN6O and a molecular weight of 408.89 g/mol. Its IUPAC name is N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride
PubChem CID171668574
Molecular FormulaC21H21ClN6O
Molecular Weight408.89 g/mol
Exact Mass408.15
IUPAC NameN-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride
SMILESCc1cccc2cc(CN(Cc3cccnc3)C(=O)C3CC3)c3nnnn3c12.Cl
InChIInChI=1S/C21H20N6O.ClH/c1-14-4-2-6-17-10-18(20-23-24-25-27(20)19(14)17)13-26(21(28)16-7-8-16)12-15-5-3-9-22-11-15;/h2-6,9-11,16H,7-8,12-13H2,1H3;1H
InChIKeyMMKGZHQPJBOEGW-UHFFFAOYSA-N
XLogP3.34
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride with MolForge

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Related Compounds

3-methyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 3216749
N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 3216780
N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
CID 1466226
N-[(4-methylphenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
CID 1466295
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide
CID 1466271
N-[(2-methoxyphenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide
CID 1466331
N-benzyl-2,2,2-trifluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
CID 1466229
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(2-phenylethyl)pyridine-4-carboxamide
CID 1466287
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 1466234
N-[(2-methoxyphenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
CID 1466328
N-[(4-fluorophenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
CID 1466244
N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 3216942

Frequently Asked Questions

What is the IUPAC name of N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride (CID 171668574) is N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride is Cc1cccc2cc(CN(Cc3cccnc3)C(=O)C3CC3)c3nnnn3c12.Cl.
What is the InChIKey of N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride?
The InChIKey is MMKGZHQPJBOEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O.ClH/c1-14-4-2-6-17-10-18(20-23-24-25-27(20)19(14)17)13-26(21(28)16-7-8-16)12-15-5-3-9-22-11-15;/h2-6,9-11,16H,7-8,12-13H2,1H3;1H.
What are the key properties of N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride?
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride has a molecular weight of 408.89 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 171668574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).