N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide

C22H22N6O — CID 3216780

IUPACN-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
SMILESCc1ccc2c(c1)cc(CN(Cc1cccnc1)C(=O)C1CCC1)c1nnnn12
InChIInChI=1S/C22H22N6O/c1-15-7-8-20-18(10-15)11-19(21-24-25-26-28(20)21)14-27(22(29)17-5-2-6-17)13-16-4-3-9-23-12-16/h3-4,7-12,17H,2,5-6,13-14H2,1H3
InChIKeyGHZZLABGPMGRCI-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.31
Rot. Bonds5

About N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide

N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide (PubChem CID 3216780) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
PubChem CID3216780
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC NameN-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
SMILESCc1ccc2c(c1)cc(CN(Cc1cccnc1)C(=O)C1CCC1)c1nnnn12
InChIInChI=1S/C22H22N6O/c1-15-7-8-20-18(10-15)11-19(21-24-25-26-28(20)21)14-27(22(29)17-5-2-6-17)13-16-4-3-9-23-12-16/h3-4,7-12,17H,2,5-6,13-14H2,1H3
InChIKeyGHZZLABGPMGRCI-UHFFFAOYSA-N
XLogP3.31
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide;hydrochloride
CID 171668574
3-(3-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1459393
N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide
CID 1459648
N-benzyl-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 1466370
N-benzyl-N-[(7-ethoxytetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide
CID 43813502
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 1459926
N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide
CID 3216808
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-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 1466402
N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide
CID 43813550
N-benzyl-2-methoxy-N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide
CID 43813460
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]pyridine-3-carboxamide
CID 43813556

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide?
The IUPAC name of N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide (CID 3216780) is N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide.
What is the SMILES notation for N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide?
The canonical SMILES for N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide is Cc1ccc2c(c1)cc(CN(Cc1cccnc1)C(=O)C1CCC1)c1nnnn12.
What is the InChIKey of N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide?
The InChIKey is GHZZLABGPMGRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-15-7-8-20-18(10-15)11-19(21-24-25-26-28(20)21)14-27(22(29)17-5-2-6-17)13-16-4-3-9-23-12-16/h3-4,7-12,17H,2,5-6,13-14H2,1H3.
What are the key properties of N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide?
N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide is sourced from PubChem (CID 3216780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).