N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]quinoxaline-6-carboxamide

C20H19N3O2 — CID 75387673

IUPACN-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]quinoxaline-6-carboxamide
SMILESO=C(NCC1(C(O)c2ccccc2)CC1)c1ccc2nccnc2c1
InChIInChI=1S/C20H19N3O2/c24-18(14-4-2-1-3-5-14)20(8-9-20)13-23-19(25)15-6-7-16-17(12-15)22-11-10-21-16/h1-7,10-12,18,24H,8-9,13H2,(H,23,25)
InChIKeyFSSNQLIVINGOGU-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.87
Rot. Bonds5

About N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]quinoxaline-6-carboxamide

N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]quinoxaline-6-carboxamide (PubChem CID 75387673) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]quinoxaline-6-carboxamide
PubChem CID75387673
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]quinoxaline-6-carboxamide
SMILESO=C(NCC1(C(O)c2ccccc2)CC1)c1ccc2nccnc2c1
InChIInChI=1S/C20H19N3O2/c24-18(14-4-2-1-3-5-14)20(8-9-20)13-23-19(25)15-6-7-16-17(12-15)22-11-10-21-16/h1-7,10-12,18,24H,8-9,13H2,(H,23,25)
InChIKeyFSSNQLIVINGOGU-UHFFFAOYSA-N
XLogP2.87
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide
CID 80716840
N-(2-phenylethyl)quinoxaline-6-carboxamide
CID 858929
4-acetyl-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]-1-methylpyrrole-2-carboxamide
CID 97240530
N-[(4-hydroxyazepan-4-yl)methyl]quinoxaline-6-carboxamide
CID 56894854
(2R)-2-amino-N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]propanamide
CID 120873430
N-[(2-aminophenyl)methyl]quinoxaline-6-carboxamide
CID 62849872
N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 126774730
N-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide
CID 64541023
N-prop-2-enylquinoxaline-6-carboxamide
CID 2256092
4-methyl-5-(quinoxaline-6-carbonylamino)pentanoic acid
CID 82012991
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide
CID 90546538
(2S,3R)-3-hydroxy-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 104964409

Frequently Asked Questions

What is the IUPAC name of N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]quinoxaline-6-carboxamide (CID 75387673) is N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]quinoxaline-6-carboxamide is O=C(NCC1(C(O)c2ccccc2)CC1)c1ccc2nccnc2c1.
What is the InChIKey of N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]quinoxaline-6-carboxamide?
The InChIKey is FSSNQLIVINGOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-18(14-4-2-1-3-5-14)20(8-9-20)13-23-19(25)15-6-7-16-17(12-15)22-11-10-21-16/h1-7,10-12,18,24H,8-9,13H2,(H,23,25).
What are the key properties of N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]quinoxaline-6-carboxamide?
N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]quinoxaline-6-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 75387673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).