3-N-benzyl-2-N-butyl-6-methoxyquinoxaline-2,3-diamine

C20H24N4O — CID 86055675

IUPAC3-N-benzyl-2-N-butyl-6-methoxyquinoxaline-2,3-diamine
SMILESCCCCNc1nc2ccc(OC)cc2nc1NCc1ccccc1
InChIInChI=1S/C20H24N4O/c1-3-4-12-21-19-20(22-14-15-8-6-5-7-9-15)24-18-13-16(25-2)10-11-17(18)23-19/h5-11,13H,3-4,12,14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyNIDJAQCPIWVDMA-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.46
Rot. Bonds8

About 3-N-benzyl-2-N-butyl-6-methoxyquinoxaline-2,3-diamine

3-N-benzyl-2-N-butyl-6-methoxyquinoxaline-2,3-diamine (PubChem CID 86055675) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-N-benzyl-2-N-butyl-6-methoxyquinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-benzyl-2-N-butyl-6-methoxyquinoxaline-2,3-diamine
PubChem CID86055675
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-N-benzyl-2-N-butyl-6-methoxyquinoxaline-2,3-diamine
SMILESCCCCNc1nc2ccc(OC)cc2nc1NCc1ccccc1
InChIInChI=1S/C20H24N4O/c1-3-4-12-21-19-20(22-14-15-8-6-5-7-9-15)24-18-13-16(25-2)10-11-17(18)23-19/h5-11,13H,3-4,12,14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyNIDJAQCPIWVDMA-UHFFFAOYSA-N
XLogP4.46
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
N-(3-methoxyphenyl)quinazolin-4-amine
CID 712193
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
N~2~-(3-methoxyphenyl)-N~4~-(tetrahydro-2-furanylmethyl)-2,4-quinazolinediamine hydrochloride
CID 2951909
N-benzyl-7-methoxyquinazolin-4-amine
CID 5328032
Pyrazine-Pyridine Biheteroaryl 15
CID 5330360
1-(7-fluoro-6-methoxy-1-{[2-(trifluoromethyl)phenyl]methyl}-1H-1,3-benzodiazol-2-yl)piperidin-3-amine
CID 23646515
1-Benzyl-7-methoxy-2-piperazin-1-ylbenzimidazole
CID 11723654
4-(2-Methylquinazoline-4-yl)-7-methoxy-3,4-dihydroquinoxaline-2(1H)-one
CID 71543088
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
N-(4-methoxyphenyl)-4-methylquinolin-2-amine
CID 812368

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-2-N-butyl-6-methoxyquinoxaline-2,3-diamine?
The IUPAC name of 3-N-benzyl-2-N-butyl-6-methoxyquinoxaline-2,3-diamine (CID 86055675) is 3-N-benzyl-2-N-butyl-6-methoxyquinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-benzyl-2-N-butyl-6-methoxyquinoxaline-2,3-diamine?
The canonical SMILES for 3-N-benzyl-2-N-butyl-6-methoxyquinoxaline-2,3-diamine is CCCCNc1nc2ccc(OC)cc2nc1NCc1ccccc1.
What is the InChIKey of 3-N-benzyl-2-N-butyl-6-methoxyquinoxaline-2,3-diamine?
The InChIKey is NIDJAQCPIWVDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-4-12-21-19-20(22-14-15-8-6-5-7-9-15)24-18-13-16(25-2)10-11-17(18)23-19/h5-11,13H,3-4,12,14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-N-benzyl-2-N-butyl-6-methoxyquinoxaline-2,3-diamine?
3-N-benzyl-2-N-butyl-6-methoxyquinoxaline-2,3-diamine has a molecular weight of 336.44 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-2-N-butyl-6-methoxyquinoxaline-2,3-diamine is sourced from PubChem (CID 86055675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).