N-benzyl-3-chloro-7-methoxyquinoxalin-2-amine

C16H14ClN3O — CID 86055668

IUPACN-benzyl-3-chloro-7-methoxyquinoxalin-2-amine
SMILESCOc1ccc2nc(Cl)c(NCc3ccccc3)nc2c1
InChIInChI=1S/C16H14ClN3O/c1-21-12-7-8-13-14(9-12)20-16(15(17)19-13)18-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,20)
InChIKeySQUWZOHKWJIPIY-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.90
Rot. Bonds4

About N-benzyl-3-chloro-7-methoxyquinoxalin-2-amine

N-benzyl-3-chloro-7-methoxyquinoxalin-2-amine (PubChem CID 86055668) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-benzyl-3-chloro-7-methoxyquinoxalin-2-amine.

Molecular Properties

Compound NameN-benzyl-3-chloro-7-methoxyquinoxalin-2-amine
PubChem CID86055668
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-benzyl-3-chloro-7-methoxyquinoxalin-2-amine
SMILESCOc1ccc2nc(Cl)c(NCc3ccccc3)nc2c1
InChIInChI=1S/C16H14ClN3O/c1-21-12-7-8-13-14(9-12)20-16(15(17)19-13)18-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,20)
InChIKeySQUWZOHKWJIPIY-UHFFFAOYSA-N
XLogP3.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chloroquinazolin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
CID 137645573
4-[2-(Ethylamino)quinazolin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one
CID 137653815
7-Methoxy-4-[2-(methylamino)quinazolin-4-yl]-1,3-dihydroquinoxalin-2-one
CID 137650154
N-(3-methoxyphenyl)-4-methylquinolin-2-amine
CID 910456
Benzyl-(6,7-dimethoxy-quinoxalin-2-yl)-amine
CID 9839107
(3-Chloro-phenyl)-(6,7-dimethoxy-quinoxalin-2-yl)-amine
CID 9861697
(6,7-Dimethoxy-quinoxalin-2-yl)-phenyl-amine
CID 9903852
1-Benzyl-6-methoxy-2-piperazin-1-ylbenzimidazole
CID 10543852
2-Chloro-N-(3-methoxyphenyl)-N-methylquinazolin-4-amine
CID 11277975
(6,7-Dimethoxy-quinoxalin-2-yl)-(3-methyl-cyclohexyl)-amine
CID 22573148
1-[(2,6-Dimethoxyquinoxalin-3-yl)aminocarbonyl]-4-(3,5-dimethylphenyl)piperazine
CID 52948333
1-[(3,6-Dimethoxyquinoxalin-2-yl)aminocarbonyl]-4-(3,5-dimethylphenyl)piperazine
CID 57401424

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-chloro-7-methoxyquinoxalin-2-amine?
The IUPAC name of N-benzyl-3-chloro-7-methoxyquinoxalin-2-amine (CID 86055668) is N-benzyl-3-chloro-7-methoxyquinoxalin-2-amine.
What is the SMILES notation for N-benzyl-3-chloro-7-methoxyquinoxalin-2-amine?
The canonical SMILES for N-benzyl-3-chloro-7-methoxyquinoxalin-2-amine is COc1ccc2nc(Cl)c(NCc3ccccc3)nc2c1.
What is the InChIKey of N-benzyl-3-chloro-7-methoxyquinoxalin-2-amine?
The InChIKey is SQUWZOHKWJIPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-21-12-7-8-13-14(9-12)20-16(15(17)19-13)18-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of N-benzyl-3-chloro-7-methoxyquinoxalin-2-amine?
N-benzyl-3-chloro-7-methoxyquinoxalin-2-amine has a molecular weight of 299.76 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-chloro-7-methoxyquinoxalin-2-amine is sourced from PubChem (CID 86055668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).