N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,3-diethylquinoxaline-6-carboxamide

C23H23N7O — CID 30765806

IUPACN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,3-diethylquinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3ccc(-c4nnnn4C4CC4)cc3)cc2nc1CC
InChIInChI=1S/C23H23N7O/c1-3-18-19(4-2)26-21-13-15(7-12-20(21)25-18)23(31)24-16-8-5-14(6-9-16)22-27-28-29-30(22)17-10-11-17/h5-9,12-13,17H,3-4,10-11H2,1-2H3,(H,24,31)
InChIKeyZCJUOBQHZKRRFM-UHFFFAOYSA-N
MW413.49 g/mol
LogP4.00
Rot. Bonds6

About N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,3-diethylquinoxaline-6-carboxamide

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,3-diethylquinoxaline-6-carboxamide (PubChem CID 30765806) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,3-diethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,3-diethylquinoxaline-6-carboxamide
PubChem CID30765806
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,3-diethylquinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3ccc(-c4nnnn4C4CC4)cc3)cc2nc1CC
InChIInChI=1S/C23H23N7O/c1-3-18-19(4-2)26-21-13-15(7-12-20(21)25-18)23(31)24-16-8-5-14(6-9-16)22-27-28-29-30(22)17-10-11-17/h5-9,12-13,17H,3-4,10-11H2,1-2H3,(H,24,31)
InChIKeyZCJUOBQHZKRRFM-UHFFFAOYSA-N
XLogP4.00
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,3-diethylquinoxaline-6-carboxamide?
The IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,3-diethylquinoxaline-6-carboxamide (CID 30765806) is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,3-diethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,3-diethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,3-diethylquinoxaline-6-carboxamide is CCc1nc2ccc(C(=O)Nc3ccc(-c4nnnn4C4CC4)cc3)cc2nc1CC.
What is the InChIKey of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,3-diethylquinoxaline-6-carboxamide?
The InChIKey is ZCJUOBQHZKRRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-3-18-19(4-2)26-21-13-15(7-12-20(21)25-18)23(31)24-16-8-5-14(6-9-16)22-27-28-29-30(22)17-10-11-17/h5-9,12-13,17H,3-4,10-11H2,1-2H3,(H,24,31).
What are the key properties of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,3-diethylquinoxaline-6-carboxamide?
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,3-diethylquinoxaline-6-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,3-diethylquinoxaline-6-carboxamide is sourced from PubChem (CID 30765806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).