3-pyrrolidin-1-yl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]propanamide

C21H22N8O — CID 73441847

IUPAC3-pyrrolidin-1-yl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]propanamide
SMILESO=C(CCN1CCCC1)Nc1ccc(Nc2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C21H22N8O/c30-19(11-14-28-12-3-4-13-28)22-15-7-9-16(10-8-15)23-20-21-25-26-27-29(21)18-6-2-1-5-17(18)24-20/h1-2,5-10H,3-4,11-14H2,(H,22,30)(H,23,24)
InChIKeyIMPOAYRJWJNIBZ-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.84
Rot. Bonds6

About 3-pyrrolidin-1-yl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]propanamide

3-pyrrolidin-1-yl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]propanamide (PubChem CID 73441847) has the molecular formula C21H22N8O and a molecular weight of 402.46 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]propanamide
PubChem CID73441847
Molecular FormulaC21H22N8O
Molecular Weight402.46 g/mol
Exact Mass402.19
IUPAC Name3-pyrrolidin-1-yl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]propanamide
SMILESO=C(CCN1CCCC1)Nc1ccc(Nc2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C21H22N8O/c30-19(11-14-28-12-3-4-13-28)22-15-7-9-16(10-8-15)23-20-21-25-26-27-29(21)18-6-2-1-5-17(18)24-20/h1-2,5-10H,3-4,11-14H2,(H,22,30)(H,23,24)
InChIKeyIMPOAYRJWJNIBZ-UHFFFAOYSA-N
XLogP2.84
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]morpholine-4-carboxamide
CID 73442469
N-pyridin-4-yl-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
CID 73442523
cyclopropyl-[4-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperazin-1-yl]methanone
CID 73441895
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
ethane;molecular hydrogen;1-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoyl]piperidin-4-one
CID 144591402
3-oxa-8-azabicyclo[3.2.1]octan-8-yl-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 90082714
N-[4-(pyridin-4-ylmethyl)phenyl]tetrazolo[1,5-a]quinoxalin-4-amine
CID 166319969
[4-(1-methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 73388373
(4-pyridin-2-ylpiperazin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 22432629
(3-ethylpiperidin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone;formonitrile
CID 144591464
2-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenol
CID 135458511

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]propanamide?
The IUPAC name of 3-pyrrolidin-1-yl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]propanamide (CID 73441847) is 3-pyrrolidin-1-yl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]propanamide.
What is the SMILES notation for 3-pyrrolidin-1-yl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]propanamide?
The canonical SMILES for 3-pyrrolidin-1-yl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]propanamide is O=C(CCN1CCCC1)Nc1ccc(Nc2nc3ccccc3n3nnnc23)cc1.
What is the InChIKey of 3-pyrrolidin-1-yl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]propanamide?
The InChIKey is IMPOAYRJWJNIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O/c30-19(11-14-28-12-3-4-13-28)22-15-7-9-16(10-8-15)23-20-21-25-26-27-29(21)18-6-2-1-5-17(18)24-20/h1-2,5-10H,3-4,11-14H2,(H,22,30)(H,23,24).
What are the key properties of 3-pyrrolidin-1-yl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]propanamide?
3-pyrrolidin-1-yl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]propanamide has a molecular weight of 402.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-N-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]propanamide is sourced from PubChem (CID 73441847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).