N-[7-chloro-2,3-bis(ethylamino)quinoxalin-6-yl]acetamide

C14H18ClN5O — CID 56952228

IUPACN-[7-chloro-2,3-bis(ethylamino)quinoxalin-6-yl]acetamide
SMILESCCNc1nc2cc(Cl)c(NC(C)=O)cc2nc1NCC
InChIInChI=1S/C14H18ClN5O/c1-4-16-13-14(17-5-2)20-12-7-10(18-8(3)21)9(15)6-11(12)19-13/h6-7H,4-5H2,1-3H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyIFCVATRHBUMIOX-UHFFFAOYSA-N
MW307.79 g/mol
LogP3.11
Rot. Bonds5

About N-[7-chloro-2,3-bis(ethylamino)quinoxalin-6-yl]acetamide

N-[7-chloro-2,3-bis(ethylamino)quinoxalin-6-yl]acetamide (PubChem CID 56952228) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is N-[7-chloro-2,3-bis(ethylamino)quinoxalin-6-yl]acetamide.

Molecular Properties

Compound NameN-[7-chloro-2,3-bis(ethylamino)quinoxalin-6-yl]acetamide
PubChem CID56952228
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC NameN-[7-chloro-2,3-bis(ethylamino)quinoxalin-6-yl]acetamide
SMILESCCNc1nc2cc(Cl)c(NC(C)=O)cc2nc1NCC
InChIInChI=1S/C14H18ClN5O/c1-4-16-13-14(17-5-2)20-12-7-10(18-8(3)21)9(15)6-11(12)19-13/h6-7H,4-5H2,1-3H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyIFCVATRHBUMIOX-UHFFFAOYSA-N
XLogP3.11
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-chloro-2,3-bis(ethylamino)quinoxalin-6-yl]acetamide?
The IUPAC name of N-[7-chloro-2,3-bis(ethylamino)quinoxalin-6-yl]acetamide (CID 56952228) is N-[7-chloro-2,3-bis(ethylamino)quinoxalin-6-yl]acetamide.
What is the SMILES notation for N-[7-chloro-2,3-bis(ethylamino)quinoxalin-6-yl]acetamide?
The canonical SMILES for N-[7-chloro-2,3-bis(ethylamino)quinoxalin-6-yl]acetamide is CCNc1nc2cc(Cl)c(NC(C)=O)cc2nc1NCC.
What is the InChIKey of N-[7-chloro-2,3-bis(ethylamino)quinoxalin-6-yl]acetamide?
The InChIKey is IFCVATRHBUMIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-4-16-13-14(17-5-2)20-12-7-10(18-8(3)21)9(15)6-11(12)19-13/h6-7H,4-5H2,1-3H3,(H,16,19)(H,17,20)(H,18,21).
What are the key properties of N-[7-chloro-2,3-bis(ethylamino)quinoxalin-6-yl]acetamide?
N-[7-chloro-2,3-bis(ethylamino)quinoxalin-6-yl]acetamide has a molecular weight of 307.79 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-chloro-2,3-bis(ethylamino)quinoxalin-6-yl]acetamide is sourced from PubChem (CID 56952228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).