N-(2-chloro-2-cyclopropylethyl)-3-methylquinoxalin-2-amine

C14H16ClN3 — CID 65033321

IUPACN-(2-chloro-2-cyclopropylethyl)-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCC(Cl)C1CC1
InChIInChI=1S/C14H16ClN3/c1-9-14(16-8-11(15)10-6-7-10)18-13-5-3-2-4-12(13)17-9/h2-5,10-11H,6-8H2,1H3,(H,16,18)
InChIKeyQEYSHKBEZKYYSV-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.37
Rot. Bonds4

About N-(2-chloro-2-cyclopropylethyl)-3-methylquinoxalin-2-amine

N-(2-chloro-2-cyclopropylethyl)-3-methylquinoxalin-2-amine (PubChem CID 65033321) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)-3-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)-3-methylquinoxalin-2-amine
PubChem CID65033321
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-(2-chloro-2-cyclopropylethyl)-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCC(Cl)C1CC1
InChIInChI=1S/C14H16ClN3/c1-9-14(16-8-11(15)10-6-7-10)18-13-5-3-2-4-12(13)17-9/h2-5,10-11H,6-8H2,1H3,(H,16,18)
InChIKeyQEYSHKBEZKYYSV-UHFFFAOYSA-N
XLogP3.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.37
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-methylquinoxalin-2-amine
CID 351423
2-Chloro-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24278976
1-methyl-1H,2H,3H,4H,5H-[1,4]diazepino[2,3-b]quinoxaline
CID 2492449
2-Chloro-3-(pyrrolidin-1-yl)quinoxaline
CID 237892
2-Chloro-3-(piperazin-1-yl)quinoxaline hydrochloride
CID 12686417
2-Butyl-1-(3-methylquinoxalin-2-yl)guanidine
CID 12785700
3-benzyl-N-(2-(methylamino)ethyl)quinoxalin-2-amine
CID 44409406
N-(3-chlorophenyl)-3-methylquinoxalin-2-amine
CID 911234
N,N'-Diethylquinoxaline-2,3-diamine
CID 105206
N-butyl-3-chloro-2-quinoxalinamine
CID 3782320
2-Benzylamino-3-chloroquinoxaline
CID 14494309
6-chloro-2-N,3-N-diethylquinoxaline-2,3-diamine
CID 2727962

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)-3-methylquinoxalin-2-amine?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)-3-methylquinoxalin-2-amine (CID 65033321) is N-(2-chloro-2-cyclopropylethyl)-3-methylquinoxalin-2-amine.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)-3-methylquinoxalin-2-amine?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)-3-methylquinoxalin-2-amine is Cc1nc2ccccc2nc1NCC(Cl)C1CC1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)-3-methylquinoxalin-2-amine?
The InChIKey is QEYSHKBEZKYYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-9-14(16-8-11(15)10-6-7-10)18-13-5-3-2-4-12(13)17-9/h2-5,10-11H,6-8H2,1H3,(H,16,18).
What are the key properties of N-(2-chloro-2-cyclopropylethyl)-3-methylquinoxalin-2-amine?
N-(2-chloro-2-cyclopropylethyl)-3-methylquinoxalin-2-amine has a molecular weight of 261.76 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)-3-methylquinoxalin-2-amine is sourced from PubChem (CID 65033321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).