6-chloro-N-ethyl-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine

C21H18ClN3O — CID 56953130

IUPAC6-chloro-N-ethyl-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1cccc2ccccc12
InChIInChI=1S/C21H18ClN3O/c1-3-23-21-20(15-10-6-8-13-7-4-5-9-14(13)15)24-17-11-16(22)19(26-2)12-18(17)25-21/h4-12H,3H2,1-2H3,(H,23,25)
InChIKeyUCKWJWXEQSMEBE-UHFFFAOYSA-N
MW363.85 g/mol
LogP5.54
Rot. Bonds4

About 6-chloro-N-ethyl-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine

6-chloro-N-ethyl-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine (PubChem CID 56953130) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is 6-chloro-N-ethyl-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine
PubChem CID56953130
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name6-chloro-N-ethyl-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine
SMILESCCNc1nc2cc(OC)c(Cl)cc2nc1-c1cccc2ccccc12
InChIInChI=1S/C21H18ClN3O/c1-3-23-21-20(15-10-6-8-13-7-4-5-9-14(13)15)24-17-11-16(22)19(26-2)12-18(17)25-21/h4-12H,3H2,1-2H3,(H,23,25)
InChIKeyUCKWJWXEQSMEBE-UHFFFAOYSA-N
XLogP5.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.85
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-N2,N3-diethyl-7-methoxyquinoxaline-2,3-diamine
CID 49830955
N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]-7-methoxyquinoxalin-2-amine
CID 90038411
N-benzyl-3-chloro-7-methoxyquinoxalin-2-amine
CID 86055668
3-N-benzyl-2-N-butyl-6-methoxyquinoxaline-2,3-diamine
CID 86055675
N-butyl-7-methoxy-3-phenylquinoxalin-2-amine
CID 118726543
6-chloro-2-N-ethyl-7-methoxy-3-N-(pyridin-3-ylmethyl)quinoxaline-2,3-diamine
CID 56952223
6-chloro-2-N-ethyl-7-methoxy-3-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxaline-2,3-diamine
CID 56952335
6-chloro-2-N-ethyl-7-methoxy-3-N-[3-(4-methylpiperazin-1-yl)propyl]quinoxaline-2,3-diamine
CID 56952336
6-chloro-2-N-ethyl-7-methoxy-3-N-(3-pyrrolidin-1-ylpropyl)quinoxaline-2,3-diamine
CID 56952337
6-chloro-3-N-[5-(diethylamino)pentan-2-yl]-2-N-ethyl-7-methoxyquinoxaline-2,3-diamine
CID 56952429
3-(1-benzothiophen-2-yl)-6-chloro-N-ethyl-7-methoxyquinoxalin-2-amine
CID 56952630
3-[7-Chloro-3-(ethylamino)-6-methoxyquinoxalin-2-yl]benzamide
CID 56952631

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine?
The IUPAC name of 6-chloro-N-ethyl-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine (CID 56953130) is 6-chloro-N-ethyl-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine.
What is the SMILES notation for 6-chloro-N-ethyl-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine?
The canonical SMILES for 6-chloro-N-ethyl-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine is CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cccc2ccccc12.
What is the InChIKey of 6-chloro-N-ethyl-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine?
The InChIKey is UCKWJWXEQSMEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c1-3-23-21-20(15-10-6-8-13-7-4-5-9-14(13)15)24-17-11-16(22)19(26-2)12-18(17)25-21/h4-12H,3H2,1-2H3,(H,23,25).
What are the key properties of 6-chloro-N-ethyl-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine?
6-chloro-N-ethyl-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine has a molecular weight of 363.85 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-7-methoxy-3-naphthalen-1-ylquinoxalin-2-amine is sourced from PubChem (CID 56953130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).