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

C14H14ClN3O — CID 104615778

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide
SMILESO=C(NCC1(CCl)CC1)c1cccc2nccnc12
InChIInChI=1S/C14H14ClN3O/c15-8-14(4-5-14)9-18-13(19)10-2-1-3-11-12(10)17-7-6-16-11/h1-3,6-7H,4-5,8-9H2,(H,18,19)
InChIKeyNBBIFICMFRWPBJ-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.38
Rot. Bonds4

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

N-[[1-(chloromethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide (PubChem CID 104615778) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide
PubChem CID104615778
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide
SMILESO=C(NCC1(CCl)CC1)c1cccc2nccnc12
InChIInChI=1S/C14H14ClN3O/c15-8-14(4-5-14)9-18-13(19)10-2-1-3-11-12(10)17-7-6-16-11/h1-3,6-7H,4-5,8-9H2,(H,18,19)
InChIKeyNBBIFICMFRWPBJ-UHFFFAOYSA-N
XLogP2.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide
CID 114751509
N-[[1-(bromomethyl)cyclopentyl]methyl]quinoxaline-5-carboxamide
CID 104615776
N-[1-(chloromethyl)cyclohexyl]quinoxaline-5-carboxamide
CID 104615746
N-[[1-(chloromethyl)cyclopropyl]methyl]naphthalene-1-carboxamide
CID 115456005
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-iodobenzamide
CID 115455970
2-chloro-N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluorobenzamide
CID 115456051
N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide
CID 115456767
N-(cyanomethyl)quinoxaline-5-carboxamide
CID 104580010
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide
CID 103969522
2-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylbenzamide
CID 107984007
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-ethoxybenzamide
CID 113313447
N-(3-chlorobutyl)quinoxaline-5-carboxamide
CID 104615743

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide (CID 104615778) is N-[[1-(chloromethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide is O=C(NCC1(CCl)CC1)c1cccc2nccnc12.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide?
The InChIKey is NBBIFICMFRWPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-8-14(4-5-14)9-18-13(19)10-2-1-3-11-12(10)17-7-6-16-11/h1-3,6-7H,4-5,8-9H2,(H,18,19).
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide?
N-[[1-(chloromethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 104615778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).