N-[3-methyl-4-(tetrazol-1-yl)phenyl]quinoxaline-5-carboxamide

C17H13N7O — CID 43816610

IUPACN-[3-methyl-4-(tetrazol-1-yl)phenyl]quinoxaline-5-carboxamide
SMILESCc1cc(NC(=O)c2cccc3nccnc23)ccc1-n1cnnn1
InChIInChI=1S/C17H13N7O/c1-11-9-12(5-6-15(11)24-10-20-22-23-24)21-17(25)13-3-2-4-14-16(13)19-8-7-18-14/h2-10H,1H3,(H,21,25)
InChIKeyHNNWTDJKVGTWIF-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.17
Rot. Bonds3

About N-[3-methyl-4-(tetrazol-1-yl)phenyl]quinoxaline-5-carboxamide

N-[3-methyl-4-(tetrazol-1-yl)phenyl]quinoxaline-5-carboxamide (PubChem CID 43816610) has the molecular formula C17H13N7O and a molecular weight of 331.34 g/mol. Its IUPAC name is N-[3-methyl-4-(tetrazol-1-yl)phenyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-(tetrazol-1-yl)phenyl]quinoxaline-5-carboxamide
PubChem CID43816610
Molecular FormulaC17H13N7O
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC NameN-[3-methyl-4-(tetrazol-1-yl)phenyl]quinoxaline-5-carboxamide
SMILESCc1cc(NC(=O)c2cccc3nccnc23)ccc1-n1cnnn1
InChIInChI=1S/C17H13N7O/c1-11-9-12(5-6-15(11)24-10-20-22-23-24)21-17(25)13-3-2-4-14-16(13)19-8-7-18-14/h2-10H,1H3,(H,21,25)
InChIKeyHNNWTDJKVGTWIF-UHFFFAOYSA-N
XLogP2.17
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-methyl-4-(tetrazol-1-yl)phenyl]-2-phenoxypyridine-3-carboxamide
CID 36722972
N-(3-bromo-4-methylphenyl)quinoxaline-5-carboxamide
CID 104576514
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 134044102
N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 858850
N-(2-methyl-4-pyridinyl)quinoxaline-5-carboxamide
CID 110701472
methyl 2-[3-[[3-methyl-4-(tetrazol-1-yl)phenyl]carbamoyl]phenoxy]acetate
CID 55870485
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262
2,4,5-trimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-3-carboxamide
CID 36723061
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide
CID 46569736
N-[3-methyl-4-(tetrazol-1-yl)phenyl]but-2-enamide
CID 112725296
(E)-4-[3-methyl-4-(tetrazol-1-yl)anilino]-4-oxobut-2-enoic acid
CID 60940580

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(tetrazol-1-yl)phenyl]quinoxaline-5-carboxamide?
The IUPAC name of N-[3-methyl-4-(tetrazol-1-yl)phenyl]quinoxaline-5-carboxamide (CID 43816610) is N-[3-methyl-4-(tetrazol-1-yl)phenyl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[3-methyl-4-(tetrazol-1-yl)phenyl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[3-methyl-4-(tetrazol-1-yl)phenyl]quinoxaline-5-carboxamide is Cc1cc(NC(=O)c2cccc3nccnc23)ccc1-n1cnnn1.
What is the InChIKey of N-[3-methyl-4-(tetrazol-1-yl)phenyl]quinoxaline-5-carboxamide?
The InChIKey is HNNWTDJKVGTWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7O/c1-11-9-12(5-6-15(11)24-10-20-22-23-24)21-17(25)13-3-2-4-14-16(13)19-8-7-18-14/h2-10H,1H3,(H,21,25).
What are the key properties of N-[3-methyl-4-(tetrazol-1-yl)phenyl]quinoxaline-5-carboxamide?
N-[3-methyl-4-(tetrazol-1-yl)phenyl]quinoxaline-5-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(tetrazol-1-yl)phenyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 43816610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).