N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide

C24H24FN5O — CID 1459648

IUPACN-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide
SMILESCc1cc2cc(CN(Cc3ccc(F)cc3)C(=O)C3CCC3)c3nnnn3c2cc1C
InChIInChI=1S/C24H24FN5O/c1-15-10-19-12-20(23-26-27-28-30(23)22(19)11-16(15)2)14-29(24(31)18-4-3-5-18)13-17-6-8-21(25)9-7-17/h6-12,18H,3-5,13-14H2,1-2H3
InChIKeyWSIJDGKXNPWOFN-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.36
Rot. Bonds5

About N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide

N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide (PubChem CID 1459648) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide
PubChem CID1459648
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC NameN-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide
SMILESCc1cc2cc(CN(Cc3ccc(F)cc3)C(=O)C3CCC3)c3nnnn3c2cc1C
InChIInChI=1S/C24H24FN5O/c1-15-10-19-12-20(23-26-27-28-30(23)22(19)11-16(15)2)14-29(24(31)18-4-3-5-18)13-17-6-8-21(25)9-7-17/h6-12,18H,3-5,13-14H2,1-2H3
InChIKeyWSIJDGKXNPWOFN-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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Related Compounds

N-[(8,9-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide
CID 43813550
N-cyclopentyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide
CID 1459619
N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 44753402
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
CID 1459629
N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 3216780
N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide
CID 3216808
N-[(2-methoxyphenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide
CID 1466331
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclohexanecarboxamide
CID 1458884
N-cyclohexyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-methoxyacetamide
CID 1459626
N-benzyl-N-[(7-ethoxytetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide
CID 43813502
N-benzyl-N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide
CID 43813555
N-[(4-fluorophenyl)methyl]-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide
CID 1466244

Frequently Asked Questions

What is the IUPAC name of N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide (CID 1459648) is N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide is Cc1cc2cc(CN(Cc3ccc(F)cc3)C(=O)C3CCC3)c3nnnn3c2cc1C.
What is the InChIKey of N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide?
The InChIKey is WSIJDGKXNPWOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-15-10-19-12-20(23-26-27-28-30(23)22(19)11-16(15)2)14-29(24(31)18-4-3-5-18)13-17-6-8-21(25)9-7-17/h6-12,18H,3-5,13-14H2,1-2H3.
What are the key properties of N-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide?
N-[(7,8-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-[(7,8-dimethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[(4-fluorophenyl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 1459648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).