N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]morpholine-4-carboxamide

C19H18N8O2 — CID 73442469

IUPACN-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCOCC1
InChIInChI=1S/C19H18N8O2/c28-19(26-9-11-29-12-10-26)21-14-7-5-13(6-8-14)20-17-18-23-24-25-27(18)16-4-2-1-3-15(16)22-17/h1-8H,9-12H2,(H,20,22)(H,21,28)
InChIKeyXTAKVTFHVFCFGK-UHFFFAOYSA-N
MW390.41 g/mol
LogP2.28
Rot. Bonds3

About N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]morpholine-4-carboxamide

N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]morpholine-4-carboxamide (PubChem CID 73442469) has the molecular formula C19H18N8O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]morpholine-4-carboxamide
PubChem CID73442469
Molecular FormulaC19H18N8O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC NameN-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCOCC1
InChIInChI=1S/C19H18N8O2/c28-19(26-9-11-29-12-10-26)21-14-7-5-13(6-8-14)20-17-18-23-24-25-27(18)16-4-2-1-3-15(16)22-17/h1-8H,9-12H2,(H,20,22)(H,21,28)
InChIKeyXTAKVTFHVFCFGK-UHFFFAOYSA-N
XLogP2.28
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

cyclopropyl-[4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazin-1-yl]methanone
CID 73441895
3-pyrrolidin-1-yl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]propanamide
CID 73441847
N-pyridin-4-yl-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
CID 73442523
1-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperidine-4-carboxylic acid
CID 73442170
1,4-diazepan-1-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 73442117
3-oxa-8-azabicyclo[3.2.1]octan-8-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 90082714
ethane;molecular hydrogen;1-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperidin-4-one
CID 144591402
[4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 73388373
tert-butyl 4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazine-1-carboxylate
CID 73442647
[4-(2,4-dimethylphenyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 15990205
2-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenol
CID 135458511
N-[4-(pyridin-4-ylmethyl)phenyl]tetrazolo[1,5-a]quinoxalin-4-amine
CID 166319969

Frequently Asked Questions

What is the IUPAC name of N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]morpholine-4-carboxamide (CID 73442469) is N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]morpholine-4-carboxamide is O=C(Nc1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCOCC1.
What is the InChIKey of N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]morpholine-4-carboxamide?
The InChIKey is XTAKVTFHVFCFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O2/c28-19(26-9-11-29-12-10-26)21-14-7-5-13(6-8-14)20-17-18-23-24-25-27(18)16-4-2-1-3-15(16)22-17/h1-8H,9-12H2,(H,20,22)(H,21,28).
What are the key properties of N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]morpholine-4-carboxamide?
N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]morpholine-4-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 73442469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).