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

C21H22N4O2 — CID 166244848

IUPACN-[[4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide
SMILESO=C(NCc1ccc(CN2CCC(O)C2)cc1)c1cccc2nccnc12
InChIInChI=1S/C21H22N4O2/c26-17-8-11-25(14-17)13-16-6-4-15(5-7-16)12-24-21(27)18-2-1-3-19-20(18)23-10-9-22-19/h1-7,9-10,17,26H,8,11-14H2,(H,24,27)
InChIKeyAVVNOZJYSHLZFM-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.13
Rot. Bonds5

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

N-[[4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide (PubChem CID 166244848) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[[4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide
PubChem CID166244848
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[[4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide
SMILESO=C(NCc1ccc(CN2CCC(O)C2)cc1)c1cccc2nccnc12
InChIInChI=1S/C21H22N4O2/c26-17-8-11-25(14-17)13-16-6-4-15(5-7-16)12-24-21(27)18-2-1-3-19-20(18)23-10-9-22-19/h1-7,9-10,17,26H,8,11-14H2,(H,24,27)
InChIKeyAVVNOZJYSHLZFM-UHFFFAOYSA-N
XLogP2.13
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide
CID 110701354
N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide
CID 110701358
N-[[3-(hydroxymethyl)phenyl]methyl]quinoxaline-5-carboxamide
CID 131903322
2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 56552174
4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-5-carboxamide
CID 126793113
2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 91660317
6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide
CID 56551657
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 56555313
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
N-(3-chlorobutyl)quinoxaline-5-carboxamide
CID 104615743
1-[(4-chloroquinolin-7-yl)methyl]pyrrolidin-3-ol
CID 175402022
N-[(2-bromocyclohexyl)methyl]quinoxaline-5-carboxamide
CID 104615763

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide?
The IUPAC name of N-[[4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide (CID 166244848) is N-[[4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[[4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[[4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide is O=C(NCc1ccc(CN2CCC(O)C2)cc1)c1cccc2nccnc12.
What is the InChIKey of N-[[4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide?
The InChIKey is AVVNOZJYSHLZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-17-8-11-25(14-17)13-16-6-4-15(5-7-16)12-24-21(27)18-2-1-3-19-20(18)23-10-9-22-19/h1-7,9-10,17,26H,8,11-14H2,(H,24,27).
What are the key properties of N-[[4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide?
N-[[4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 166244848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).