N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide

C24H24FN5O — CID 43813550

IUPACN-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide
SMILESCc1ccc2cc(CN(Cc3ccc(F)cc3)C(=O)C3CCC3)c3nnnn3c2c1C
InChIInChI=1S/C24H24FN5O/c1-15-6-9-19-12-20(23-26-27-28-30(23)22(19)16(15)2)14-29(24(31)18-4-3-5-18)13-17-7-10-21(25)11-8-17/h6-12,18H,3-5,13-14H2,1-2H3
InChIKeyOYGQOABTNRLVKU-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.36
Rot. Bonds5

About N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide

N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide (PubChem CID 43813550) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide
PubChem CID43813550
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC NameN-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide
SMILESCc1ccc2cc(CN(Cc3ccc(F)cc3)C(=O)C3CCC3)c3nnnn3c2c1C
InChIInChI=1S/C24H24FN5O/c1-15-6-9-19-12-20(23-26-27-28-30(23)22(19)16(15)2)14-29(24(31)18-4-3-5-18)13-17-7-10-21(25)11-8-17/h6-12,18H,3-5,13-14H2,1-2H3
InChIKeyOYGQOABTNRLVKU-UHFFFAOYSA-N
XLogP4.36
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide (CID 43813550) is N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide is Cc1ccc2cc(CN(Cc3ccc(F)cc3)C(=O)C3CCC3)c3nnnn3c2c1C.
What is the InChIKey of N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide?
The InChIKey is OYGQOABTNRLVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-15-6-9-19-12-20(23-26-27-28-30(23)22(19)16(15)2)14-29(24(31)18-4-3-5-18)13-17-7-10-21(25)11-8-17/h6-12,18H,3-5,13-14H2,1-2H3.
What are the key properties of N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide?
N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide has a molecular weight of 417.49 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 43813550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).