N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide

C15H17N3O2 — CID 114751509

IUPACN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide
SMILESO=C(NCC1(CCO)CC1)c1cccc2nccnc12
InChIInChI=1S/C15H17N3O2/c19-9-6-15(4-5-15)10-18-14(20)11-2-1-3-12-13(11)17-8-7-16-12/h1-3,7-8,19H,4-6,9-10H2,(H,18,20)
InChIKeyFRGNCCGINULMSS-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.52
Rot. Bonds5

About N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide (PubChem CID 114751509) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide
PubChem CID114751509
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide
SMILESO=C(NCC1(CCO)CC1)c1cccc2nccnc12
InChIInChI=1S/C15H17N3O2/c19-9-6-15(4-5-15)10-18-14(20)11-2-1-3-12-13(11)17-8-7-16-12/h1-3,7-8,19H,4-6,9-10H2,(H,18,20)
InChIKeyFRGNCCGINULMSS-UHFFFAOYSA-N
XLogP1.52
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(chloromethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide
CID 104615778
N-[[1-(bromomethyl)cyclopentyl]methyl]quinoxaline-5-carboxamide
CID 104615776
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 114751443
N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide
CID 115456767
N-(cyanomethyl)quinoxaline-5-carboxamide
CID 104580010
N-[1-(chloromethyl)cyclohexyl]quinoxaline-5-carboxamide
CID 104615746
N-[3-(ethylamino)propyl]quinoxaline-5-carboxamide
CID 104615443
4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 114751793
N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide
CID 104615463
N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide
CID 110701354
N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide
CID 74240949
N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide
CID 104580610

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide (CID 114751509) is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide is O=C(NCC1(CCO)CC1)c1cccc2nccnc12.
What is the InChIKey of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide?
The InChIKey is FRGNCCGINULMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-9-6-15(4-5-15)10-18-14(20)11-2-1-3-12-13(11)17-8-7-16-12/h1-3,7-8,19H,4-6,9-10H2,(H,18,20).
What are the key properties of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide?
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 114751509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).