2-methoxy-4-[7-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]quinoxalin-5-yl]benzamide

C26H24N4O2 — CID 122689059

IUPAC2-methoxy-4-[7-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]quinoxalin-5-yl]benzamide
SMILESCOc1cc(-c2cc(N[C@@H]3CCCc4ccccc43)cc3nccnc23)ccc1C(N)=O
InChIInChI=1S/C26H24N4O2/c1-32-24-13-17(9-10-20(24)26(27)31)21-14-18(15-23-25(21)29-12-11-28-23)30-22-8-4-6-16-5-2-3-7-19(16)22/h2-3,5,7,9-15,22,30H,4,6,8H2,1H3,(H2,27,31)/t22-/m1/s1
InChIKeyVKVGYCQJYFHCIL-JOCHJYFZSA-N
MW424.50 g/mol
LogP4.89
Rot. Bonds5

About 2-methoxy-4-[7-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]quinoxalin-5-yl]benzamide

2-methoxy-4-[7-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]quinoxalin-5-yl]benzamide (PubChem CID 122689059) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-methoxy-4-[7-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]quinoxalin-5-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-4-[7-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]quinoxalin-5-yl]benzamide
PubChem CID122689059
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name2-methoxy-4-[7-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]quinoxalin-5-yl]benzamide
SMILESCOc1cc(-c2cc(N[C@@H]3CCCc4ccccc43)cc3nccnc23)ccc1C(N)=O
InChIInChI=1S/C26H24N4O2/c1-32-24-13-17(9-10-20(24)26(27)31)21-14-18(15-23-25(21)29-12-11-28-23)30-22-8-4-6-16-5-2-3-7-19(16)22/h2-3,5,7,9-15,22,30H,4,6,8H2,1H3,(H2,27,31)/t22-/m1/s1
InChIKeyVKVGYCQJYFHCIL-JOCHJYFZSA-N
XLogP4.89
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-4-[7-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]quinoxalin-5-yl]benzamide with MolForge

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Related Compounds

8-(3-amino-4-methoxyphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine
CID 122689251
8-(1-methylindol-6-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoxalin-6-amine
CID 122689430
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-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]quinoxalin-6-amine
CID 122689341
4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide
CID 43178184
methyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate
CID 133488083
N-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 114838359
2-methoxy-4-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 3377458
(2S)-2-(2-methoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99132182
4-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92882408
2-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzoic acid
CID 115485174
4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 95086936

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[7-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]quinoxalin-5-yl]benzamide?
The IUPAC name of 2-methoxy-4-[7-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]quinoxalin-5-yl]benzamide (CID 122689059) is 2-methoxy-4-[7-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]quinoxalin-5-yl]benzamide.
What is the SMILES notation for 2-methoxy-4-[7-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]quinoxalin-5-yl]benzamide?
The canonical SMILES for 2-methoxy-4-[7-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]quinoxalin-5-yl]benzamide is COc1cc(-c2cc(N[C@@H]3CCCc4ccccc43)cc3nccnc23)ccc1C(N)=O.
What is the InChIKey of 2-methoxy-4-[7-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]quinoxalin-5-yl]benzamide?
The InChIKey is VKVGYCQJYFHCIL-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-32-24-13-17(9-10-20(24)26(27)31)21-14-18(15-23-25(21)29-12-11-28-23)30-22-8-4-6-16-5-2-3-7-19(16)22/h2-3,5,7,9-15,22,30H,4,6,8H2,1H3,(H2,27,31)/t22-/m1/s1.
What are the key properties of 2-methoxy-4-[7-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]quinoxalin-5-yl]benzamide?
2-methoxy-4-[7-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]quinoxalin-5-yl]benzamide has a molecular weight of 424.50 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[7-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]quinoxalin-5-yl]benzamide is sourced from PubChem (CID 122689059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).