N-[2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide

C23H24N6O2 — CID 1440215

IUPACN-[2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccccc1-c1nnn(CC(=O)N2CCc3ccccc3C2)n1)C1CCC1
InChIInChI=1S/C23H24N6O2/c30-21(28-13-12-16-6-1-2-7-18(16)14-28)15-29-26-22(25-27-29)19-10-3-4-11-20(19)24-23(31)17-8-5-9-17/h1-4,6-7,10-11,17H,5,8-9,12-15H2,(H,24,31)
InChIKeyZZZJRVOOXGWADF-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.66
Rot. Bonds5

About N-[2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide

N-[2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide (PubChem CID 1440215) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide
PubChem CID1440215
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccccc1-c1nnn(CC(=O)N2CCc3ccccc3C2)n1)C1CCC1
InChIInChI=1S/C23H24N6O2/c30-21(28-13-12-16-6-1-2-7-18(16)14-28)15-29-26-22(25-27-29)19-10-3-4-11-20(19)24-23(31)17-8-5-9-17/h1-4,6-7,10-11,17H,5,8-9,12-15H2,(H,24,31)
InChIKeyZZZJRVOOXGWADF-UHFFFAOYSA-N
XLogP2.66
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide (CID 1440215) is N-[2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide is O=C(Nc1ccccc1-c1nnn(CC(=O)N2CCc3ccccc3C2)n1)C1CCC1.
What is the InChIKey of N-[2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide?
The InChIKey is ZZZJRVOOXGWADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c30-21(28-13-12-16-6-1-2-7-18(16)14-28)15-29-26-22(25-27-29)19-10-3-4-11-20(19)24-23(31)17-8-5-9-17/h1-4,6-7,10-11,17H,5,8-9,12-15H2,(H,24,31).
What are the key properties of N-[2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide?
N-[2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide has a molecular weight of 416.49 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 1440215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).