8-(3-amino-4-methoxyphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine

C25H24N4O — CID 122689251

IUPAC8-(3-amino-4-methoxyphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine
SMILESCOc1ccc(-c2cc(N[C@@H]3CCCc4ccccc43)cc3nccnc23)cc1N
InChIInChI=1S/C25H24N4O/c1-30-24-10-9-17(13-21(24)26)20-14-18(15-23-25(20)28-12-11-27-23)29-22-8-4-6-16-5-2-3-7-19(16)22/h2-3,5,7,9-15,22,29H,4,6,8,26H2,1H3/t22-/m1/s1
InChIKeyIGGAHQHZTCBGJE-JOCHJYFZSA-N
MW396.49 g/mol
LogP5.38
Rot. Bonds4

About 8-(3-amino-4-methoxyphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine

8-(3-amino-4-methoxyphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine (PubChem CID 122689251) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 8-(3-amino-4-methoxyphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine.

Molecular Properties

Compound Name8-(3-amino-4-methoxyphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine
PubChem CID122689251
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name8-(3-amino-4-methoxyphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine
SMILESCOc1ccc(-c2cc(N[C@@H]3CCCc4ccccc43)cc3nccnc23)cc1N
InChIInChI=1S/C25H24N4O/c1-30-24-10-9-17(13-21(24)26)20-14-18(15-23-25(20)28-12-11-27-23)29-22-8-4-6-16-5-2-3-7-19(16)22/h2-3,5,7,9-15,22,29H,4,6,8,26H2,1H3/t22-/m1/s1
InChIKeyIGGAHQHZTCBGJE-JOCHJYFZSA-N
XLogP5.38
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-(3-amino-4-methoxyphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine with MolForge

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Related Compounds

2-methoxy-4-[7-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]quinoxalin-5-yl]benzamide
CID 122689059
8-(3-amino-4-methoxyphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-(oxan-3-ylmethyl)quinoxalin-6-amine
CID 159167577
8-(1-methylindol-6-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine
CID 122689430
8-(1-methylindol-6-yl)-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]quinoxalin-6-amine
CID 122689341
N-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 114838359
N-(4-chloro-2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43102702
N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79054379
2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine
CID 62305429
N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 75531448
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 142477727
6-(3-amino-4-chlorophenyl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 127034672
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazol-4-amine
CID 43539897

Frequently Asked Questions

What is the IUPAC name of 8-(3-amino-4-methoxyphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine?
The IUPAC name of 8-(3-amino-4-methoxyphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine (CID 122689251) is 8-(3-amino-4-methoxyphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine.
What is the SMILES notation for 8-(3-amino-4-methoxyphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine?
The canonical SMILES for 8-(3-amino-4-methoxyphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine is COc1ccc(-c2cc(N[C@@H]3CCCc4ccccc43)cc3nccnc23)cc1N.
What is the InChIKey of 8-(3-amino-4-methoxyphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine?
The InChIKey is IGGAHQHZTCBGJE-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H24N4O/c1-30-24-10-9-17(13-21(24)26)20-14-18(15-23-25(20)28-12-11-27-23)29-22-8-4-6-16-5-2-3-7-19(16)22/h2-3,5,7,9-15,22,29H,4,6,8,26H2,1H3/t22-/m1/s1.
What are the key properties of 8-(3-amino-4-methoxyphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine?
8-(3-amino-4-methoxyphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine has a molecular weight of 396.49 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-amino-4-methoxyphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine is sourced from PubChem (CID 122689251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).